file
int64
a
float64
siga
float64
b
float64
sigb
float64
c
float64
sigc
float64
alpha
float64
sigalpha
float64
beta
float64
sigbeta
float64
gamma
float64
siggamma
float64
vol
float64
sigvol
float64
celltemp
float64
sigcelltemp
float64
diffrtemp
float64
sigdiffrtemp
float64
cellpressure
float64
sigcellpressure
float64
diffrpressure
float64
sigdiffrpressure
float64
thermalhist
string
pressurehist
string
compoundsource
string
nel
string
sg
string
sgHall
string
sgNumber
int64
commonname
string
chemname
string
mineral
string
formula
string
calcformula
string
cellformula
string
Z
int64
Zprime
float64
acce_code
string
authors
string
title
string
journal
string
year
int64
volume
int64
issue
string
firstpage
string
lastpage
string
doi
string
method
string
radiation
string
wavelength
float64
radType
string
radSymbol
string
Rall
float64
Robs
float64
Rref
float64
wRall
float64
wRobs
float64
wRref
float64
RFsqd
float64
RI
float64
gofall
float64
gofobs
float64
gofgt
float64
gofref
float64
duplicateof
int64
optimal
int64
status
string
flags
string
text
string
svnrevision
int64
date
string
time
string
onhold
string
cif_text
string
2,010,187
8.084
0.001
15.557
0.001
10.518
0.002
90
null
95.1
0.01
90
null
1,317.5
0.3
293
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C12 H8 Cu N4 S2 -
- C12 H8 Cu N4 S2 -
- C48 H32 Cu4 N16 S8 -
4
0.5
HR1026
Parker, O. Jerry; Wilson, Billie L.; Breneman, Gary L.
(2,2'-Bipyridine)bis(thiocyanato-<i>N</i>)copper(II), [Cu(bipy)(NCS)~2~]
Acta Crystallographica Section C
1,994
50
11
1681
1683
10.1107/S0108270194006980
0.71073
MoKα
null
0.041
null
null
0.05
null
null
null
null
1.63
1.63
null
null
null
has coordinates
Parker, O. Jerry; Wilson, Billie L.; Breneman, Gary L. (2,2'-Bipyridine)bis(thiocyanato-<i>N</i>)copper(II), [Cu(bipy)(NCS)~2~] Acta Crystallographica Section C 50(11) (1994) 1681-1683
301,798
2025-08-19
6:41:45
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2,010,188
7.261
0.001
16.913
0.002
11.574
0.001
90
null
94.85
0.01
90
null
1,416.3
0.3
291
1
291
1
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
3'-(2,6-Dichlorophenyl)spiroo[bicyclo[2.2.1]heptane-2,5'(4'H)-isoxazole- 3-one
- C15 H13 Cl2 N O2 -
- C15 H13 Cl2 N O2 -
- C60 H52 Cl8 N4 O8 -
4
1
HR1029
Mackay, M. F.; Savage, G. P.; Simpson, G.W.
3'-(2,6-Dichlorophenyl)bicyclo[2.2.1]heptane-2-spiro-5'(4'<i>H</i>)-isoxazole-3-one
Acta Crystallographica Section C
1,994
50
11
1772
1774
10.1107/S0108270194004622
1.5418
CopperKα
null
0.046
null
null
0.066
null
null
null
null
1.55
1.55
null
null
null
has coordinates
Mackay, M. F.; Savage, G. P.; Simpson, G.W. 3'-(2,6-Dichlorophenyl)bicyclo[2.2.1]heptane-2-spiro-5'(4'<i>H</i>)-isoxazole-3-one Acta Crystallographica Section C 50(11) (1994) 1772-1774
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010188.cif $ #-------------------------------------------------------------------...
2,010,189
9.278
0.004
11.635
0.008
15.812
0.004
76.46
0.05
78.46
0.04
72.77
0.05
1,569.2
1.4
297
2
297
2
null
null
null
null
3
P -1
-P 1
2
Dimethyl 1-(4-acetoxy-3,5-dimethoxyphenyl)-4,7,9-trimethoxy- 8-oxospiro[4.5]deca-6,9-diene-trans-2,3-dicarboxylate acetone solvate
- C30 H38 O13 -
- C30 H38 O13 -
- C60 H76 O26 -
2
1
HR1032
Pajunen, Aarne; Brunow, Gösta; Setälä, Harri
Dimethyl-1-(4-acetoxy-3,5-dimethoxyphenyl)-4,7,9-trimethoxy-8-oxospiro[4.5]deca-6,9-diene-<i>trans</i>-2,3-dicarboxylate acetone solvate
Acta Crystallographica Section C
1,994
50
11
1823
1825
10.1107/S0108270194006979
0.71069
MoKα
0.1716
0.0955
null
0.3174
0.2855
null
null
null
1.007
1.353
1.353
null
null
null
has coordinates,has disorder
Pajunen, Aarne; Brunow, Gösta; Setälä, Harri Dimethyl-1-(4-acetoxy-3,5-dimethoxyphenyl)-4,7,9-trimethoxy-8-oxospiro[4.5]deca-6,9-diene-<i>trans</i>-2,3-dicarboxylate acetone solvate Acta Crystallographica Section C 50(11) (1994) 1823-1825
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010189.cif $ #-------------------------------------------------------------------...
2,010,190
7.486
0.006
8.965
0.006
11.323
0.008
98.91
0.05
92.71
0.06
98.82
0.06
739.9
0.9
220
2
220
2
null
null
null
null
5
P -1
-P 1
2
anti,anti-N-(2,6-dimethyl-1,3,5-trithian-1-ylidene)-4-methylbenzenesulfonamide
- C12 H17 N O2 S4 -
- C12 H17 N O2 S4 -
- C24 H34 N2 O4 S8 -
2
1
HR1035
Errington, William; Sparey, Tim J.; Taylor, Paul C.
<i>anti</i>,<i>anti</i>-<i>N</i>-(2,6-Dimethyl-1,3,5-trithian-1-ylidene)-4-methylbenzenesulfonamide
Acta Crystallographica Section C
1,994
50
11
1821
1823
10.1107/S0108270194007110
0.71073
MoKα
0.0453
0.0382
null
0.1146
0.1076
null
null
null
1.045
1.066
1.066
null
null
null
has coordinates
Errington, William; Sparey, Tim J.; Taylor, Paul C. <i>anti</i>,<i>anti</i>-<i>N</i>-(2,6-Dimethyl-1,3,5-trithian-1-ylidene)-4-methylbenzenesulfonamide Acta Crystallographica Section C 50(11) (1994) 1821-1823
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010190.cif $ #-------------------------------------------------------------------...
2,010,191
8.547
0.002
10.187
0.004
13.895
0.006
72.45
0.03
85.2
0.03
86.06
0.03
1,148.3
0.7
295
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C42 H24 Cu2 F12 N2 O8 S4 -
- C42 H24 Cu2 F12 N2 O8 S4 -
- C42 H24 Cu2 F12 N2 O8 S4 -
1
0.5
HU1025
Li, M.-X.; Xu, Z.; You, X.-Z.; Chen, C.-G.
A binuclear copper(II) complex: μ-(4,4'-bipyridine)-<i>N</i>:<i>N</i>'-bis{bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-<i>O</i>,<i>O</i>']copper}
Acta Crystallographica Section C
1,994
50
11
1699
1701
10.1107/S0108270194003276
0.7093
MoKα
null
0.056
null
null
0.063
null
null
null
null
1.52
1.52
null
null
null
has coordinates
Li, M.-X.; Xu, Z.; You, X.-Z.; Chen, C.-G. A binuclear copper(II) complex: μ-(4,4'-bipyridine)-<i>N</i>:<i>N</i>'-bis{bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-<i>O</i>,<i>O</i>']copper} Acta Crystallographica Section C 50(11) (1994) 1699-1701
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010191.cif $ #-------------------------------------------------------------------...
2,010,192
10.778
0.002
23.669
0.01
11.483
0.002
90
null
111.57
0.01
90
null
2,724.2
1.4
293
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C15 H15 Br N2 -
- C15 H15 Br N2 -
- C120 H120 Br8 N16 -
8
2
HU1034
Ahmet, M.T.; Silver, J.; Houlton, A.
Influence of crystal environment on molecular conformation: <i>p</i>-bromo-<i>N</i>-(<i>p</i>-dimethylaminobenzylidene)aniline
Acta Crystallographica Section C
1,994
50
11
1814
1818
10.1107/S0108270194003252
0.71073
MoKα
null
0.037
null
null
0.044
null
null
null
null
0.575
0.575
null
null
null
has coordinates
Ahmet, M.T.; Silver, J.; Houlton, A. Influence of crystal environment on molecular conformation: <i>p</i>-bromo-<i>N</i>-(<i>p</i>-dimethylaminobenzylidene)aniline Acta Crystallographica Section C 50(11) (1994) 1814-1818
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010192.cif $ #-------------------------------------------------------------------...
2,010,193
7.957
0.001
9.488
0.001
13.312
0.003
89.68
0.01
76.86
0.01
81.17
0.01
966.6
0.3
293
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C20 H14 Au Br3 N2 -
- C20 H14 Au Br3 N2 -
- C40 H28 Au2 Br6 N4 -
2
1
HU1070
Baggio, R.F.; Moya, S.A.; Schmied, R.; Gulippi, M.; Guerrero, J.; Sartori, R.; Garland, M.T.
Bis(3,3'-dimethylene-2,2'-biquinolinium)tetrabromoaurate(III) dibromoaurate (I)
Acta Crystallographica Section C
1,994
50
11
1701
1703
10.1107/S0108270194000077
0.71073
MoKα
null
0.0455
null
null
0.0595
null
null
null
null
0.8
0.8
null
null
null
has coordinates
Baggio, R.F.; Moya, S.A.; Schmied, R.; Gulippi, M.; Guerrero, J.; Sartori, R.; Garland, M.T. Bis(3,3'-dimethylene-2,2'-biquinolinium)tetrabromoaurate(III) dibromoaurate (I) Acta Crystallographica Section C 50(11) (1994) 1701-1703
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010193.cif $ #-------------------------------------------------------------------...
2,010,194
14.724
0.003
7.621
0.002
11.844
0.002
90
null
95.17
0.03
90
null
1,323.6
0.5
153
2
153
2
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
monoacetylparacyclophane
4-acetyl(2.2)paracyclophane
- C18 H18 O -
- C18 H18 O -
- C72 H72 O4 -
4
1
HU1077
Lindeman, Sergey V.; Struchkov, Yuri T.; Guryshev, Vyacheslav N.
5-Acetyl[2.2]paracyclophane
Acta Crystallographica Section C
1,994
50
11
1747
1749
10.1107/S0108270194003264
0.71069
MoKα
0.0606
0.0512
null
0.1668
0.1461
null
null
null
1.057
1.056
1.056
null
null
null
has coordinates
Lindeman, Sergey V.; Struchkov, Yuri T.; Guryshev, Vyacheslav N. 5-Acetyl[2.2]paracyclophane Acta Crystallographica Section C 50(11) (1994) 1747-1749
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010194.cif $ #-------------------------------------------------------------------...
2,010,195
11.663
0.002
11.909
0.01
15.306
0.01
76.01
0.06
84.67
0.03
87.14
0.04
2,053
2
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
N-(2-hydroxyethyl)pyrrolidinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate
- C20 H24 Cl2 N2 O3 -
- C20 H24 Cl2 N2 O3 -
- C80 H96 Cl8 N8 O12 -
4
2
HU1099
Castellari, Carlo; Sabatino, Piera
Anti-inflammatory drugs: 1-(2-hydroxyethyl)pyrrolidinium salt of diclofenac
Acta Crystallographica Section C
1,994
50
11
1723
1726
10.1107/S0108270194003926
0.71069
MoKα
0.0608
0.0443
null
0.1191
0.108
null
null
null
1.068
1.147
1.147
null
null
null
has coordinates
Castellari, Carlo; Sabatino, Piera Anti-inflammatory drugs: 1-(2-hydroxyethyl)pyrrolidinium salt of diclofenac Acta Crystallographica Section C 50(11) (1994) 1723-1726
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010195.cif $ #-------------------------------------------------------------------...
2,010,196
10.888
0.008
5.095
0.003
10.923
0.008
90
null
111.16
0.05
90
null
565.1
0.7
150
2
150
2
null
null
null
null
5
P 1 21 1
P 2yb
4
3-chloro-2-oxopropyltosylate
3-Chloro-2-oxopropyl-p-toluenesulfonate
- C10 H11 Cl O4 S -
- C10 H11 Cl O4 S -
- C20 H22 Cl2 O8 S2 -
2
1
HU1109
Howard, Judith A.K.; Batsanov, Andrei S.; O'Hagan, David; White, Jeffrey
3-Chloro- and 3-bromo-2-oxopropyl-<i>p</i>-toluenesulfonate
Acta Crystallographica Section C
1,994
50
11
1825
1828
10.1107/S0108270194006499
0.71073
MoKα
0.0423
0.0341
null
0.1033
0.0905
null
null
null
1.061
1.072
1.072
null
null
null
has coordinates
Howard, Judith A.K.; Batsanov, Andrei S.; O'Hagan, David; White, Jeffrey 3-Chloro- and 3-bromo-2-oxopropyl-<i>p</i>-toluenesulfonate Acta Crystallographica Section C 50(11) (1994) 1825-1828
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010196.cif $ #-------------------------------------------------------------------...
2,010,197
11.002
0.002
5.16
0.002
22.49
0.003
90
null
110.48
0.03
90
null
1,196.1
0.6
293
2
293
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
3-Bromo-2-oxopropyltosylate
3-Bromo-2-oxopropyl-p-toluenesulfonate
- C10 H11 Br O4 S -
- C10 H11 Br O4 S -
- C40 H44 Br4 O16 S4 -
4
1
HU1109
Howard, Judith A.K.; Batsanov, Andrei S.; O'Hagan, David; White, Jeffrey
3-Chloro- and 3-bromo-2-oxopropyl-<i>p</i>-toluenesulfonate
Acta Crystallographica Section C
1,994
50
11
1825
1828
10.1107/S0108270194006499
0.71073
MoKα
0.1236
0.0401
null
0.1092
0.0877
null
null
null
1.018
1.117
1.117
null
null
null
has coordinates
Howard, Judith A.K.; Batsanov, Andrei S.; O'Hagan, David; White, Jeffrey 3-Chloro- and 3-bromo-2-oxopropyl-<i>p</i>-toluenesulfonate Acta Crystallographica Section C 50(11) (1994) 1825-1828
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010197.cif $ #-------------------------------------------------------------------...
2,010,198
8.981
0.006
25.31
0.006
7.545
0.003
90
null
109.11
0.03
90
null
1,620.5
1.3
293
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
- C19 H24 F N O -
- C19 H24 F N O -
- C76 H96 F4 N4 O4 -
4
2
KA1034
Stanković, S.; Petrović, J.; Miljković, D.; Pejanović, V.; Stefanović, A.; Bruvo, M.
<small>D</small>-Secoestrone derivatives. III. 17-Fluoro-3-methoxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile
Acta Crystallographica Section C
1,994
50
11
1745
1747
10.1107/S0108270193012545
0.71069
MoKα
null
0.051
null
null
0.055
null
null
null
null
0.349
0.349
null
null
null
has coordinates
Stanković, S.; Petrović, J.; Miljković, D.; Pejanović, V.; Stefanović, A.; Bruvo, M. <small>D</small>-Secoestrone derivatives. III. 17-Fluoro-3-methoxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile Acta Crystallographica Section C 50(11) (1994) 1745-1747
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010198.cif $ #-------------------------------------------------------------------...
2,010,199
8.243
0.01
8.717
0.009
10.652
0.009
67.91
0.07
81.73
0.09
74.09
0.09
681.3
1.3
293
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C16 H13 N O5 -
- C16 H13 N O5 -
- C32 H26 N2 O10 -
2
1
KA1054
Vrábel, V.; Lokaj, J.; Sivý, J.; Ilavský, D; Bartovic, A.
3-[5-(2-Nitrophenyl)furfurylidene]-2,4-pentanedione
Acta Crystallographica Section C
1,994
50
11
1777
1779
10.1107/S0108270193013277
0.71069
MoKα
null
0.054
null
null
0.051
null
null
null
null
0.84
0.84
null
null
null
has coordinates
Vrábel, V.; Lokaj, J.; Sivý, J.; Ilavský, D; Bartovic, A. 3-[5-(2-Nitrophenyl)furfurylidene]-2,4-pentanedione Acta Crystallographica Section C 50(11) (1994) 1777-1779
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/01/2010199.cif $ #-------------------------------------------------------------------...
2,010,200
22.391
0.009
3.876
0.003
17.683
0.007
90
null
90.12
0.03
90
null
1,534.7
1.5
293
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- C7 H10 N4 O -
- C7 H10 N4 O -
- C56 H80 N32 O8 -
8
1
KA1062
Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.
5-Acetyl-4-methyl-2-pyrimidinylhydrazine and 5-(1-hydrazonoethyl)-4-methyl-2-pyrimidinylhydrazine, C~7~H~10~N~4~O and C~7~H~12~N~6~
Acta Crystallographica Section C
1,994
50
11
1753
1756
10.1107/S0108270194002106
1.5418
CuKα
null
0.038
null
null
0.039
null
null
null
null
1.5
1.5
null
null
null
has coordinates
Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M. 5-Acetyl-4-methyl-2-pyrimidinylhydrazine and 5-(1-hydrazonoethyl)-4-methyl-2-pyrimidinylhydrazine, C~7~H~10~N~4~O and C~7~H~12~N~6~ Acta Crystallographica Section C 50(11) (1994) 1753-1756
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010200.cif $ #-------------------------------------------------------------------...
2,010,201
7.944
0.005
8.485
0.006
6.829
0.003
87.11
0.02
93.65
0.03
111.58
0.02
427
0.4
293
null
null
null
null
null
null
null
3
P -1
-P 1
2
- C7 H12 N6 -
- C7 H12 N6 -
- C14 H24 N12 -
2
1
KA1062
Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.
5-Acetyl-4-methyl-2-pyrimidinylhydrazine and 5-(1-hydrazonoethyl)-4-methyl-2-pyrimidinylhydrazine, C~7~H~10~N~4~O and C~7~H~12~N~6~
Acta Crystallographica Section C
1,994
50
11
1753
1756
10.1107/S0108270194002106
1.5418
CuKα
null
0.057
null
null
0.058
null
null
null
null
2.2
2.2
null
null
null
has coordinates
Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M. 5-Acetyl-4-methyl-2-pyrimidinylhydrazine and 5-(1-hydrazonoethyl)-4-methyl-2-pyrimidinylhydrazine, C~7~H~10~N~4~O and C~7~H~12~N~6~ Acta Crystallographica Section C 50(11) (1994) 1753-1756
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010201.cif $ #-------------------------------------------------------------------...
2,010,202
17.714
0.009
7.571
0.005
17.974
0.01
90
null
103.85
0.06
90
null
2,340
2
293
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C28 H25 N3 O4 -
- C29 H23 N3 O4 -
- C116 H92 N12 O16 -
4
1
KA1063
Lokaj, J.; Kettmann, V.; Vrábel, V.; Ilavský, D.; Milata, V.
Diethyl 2-(2,3-diphenylquinoxalin-6-ylaminomethylene)malonate
Acta Crystallographica Section C
1,994
50
11
1784
1786
10.1107/S0108270194001964
0.71069
MoKα
null
0.072
null
null
0.068
null
null
null
null
1.23
1.23
null
null
null
has coordinates
Lokaj, J.; Kettmann, V.; Vrábel, V.; Ilavský, D.; Milata, V. Diethyl 2-(2,3-diphenylquinoxalin-6-ylaminomethylene)malonate Acta Crystallographica Section C 50(11) (1994) 1784-1786
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010202.cif $ #-------------------------------------------------------------------...
2,010,203
12.1732
0.0009
6.8173
0.0006
16.737
0.001
90
null
93.457
0.006
90
null
1,386.45
0.18
293
null
293
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
Ethyl (E)-2-benzoyl-3-dimethylaminopropenoate
- C14 H17 N O3 -
- C14 H17 N O3 -
- C56 H68 N4 O12 -
4
1
KA1064
Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko
Three substituted 3-aminopropenoates
Acta Crystallographica Section C
1,994
50
11
1842
1846
10.1107/S0108270193013423
0.71069
MoKα
0.06
0.047
null
0.066
0.049
null
null
null
0.988
0.957
0.957
null
null
null
has coordinates
Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko Three substituted 3-aminopropenoates Acta Crystallographica Section C 50(11) (1994) 1842-1846
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010203.cif $ #-------------------------------------------------------------------...
2,010,204
8.29
0.001
8.067
0.001
12.5
0.002
90.38
0.01
94.5
0.02
90.35
0.02
833.3
0.2
293
null
293
null
null
null
null
null
4
P -1
-P 1
2
Ethyl (Z)-2-benzoyl-3-(3'-nitrophenyl)aminopropenoate
- C18 H16 N2 O5 -
- C18 H16 N2 O5 -
- C36 H32 N4 O10 -
2
1
KA1064
Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko
Three substituted 3-aminopropenoates
Acta Crystallographica Section C
1,994
50
11
1842
1846
10.1107/S0108270193013423
0.71069
MoKα
0.068
0.059
null
0.072
0.062
null
null
null
0.947
0.997
0.997
null
null
null
has coordinates
Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko Three substituted 3-aminopropenoates Acta Crystallographica Section C 50(11) (1994) 1842-1846
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010204.cif $ #-------------------------------------------------------------------...
2,010,205
8.3383
0.0007
9.4365
0.0007
10.5925
0.0008
71.904
0.007
88.558
0.007
81.614
0.008
783.59
0.11
293
null
293
null
null
null
null
null
5
P -1
-P 1
2
Methyl (Z)-3-(4,6-dimethylpyrimidinyl-2)amino-2-(1-methoxy- -1-methylthio)methyleneaminopropenoate
- C13 H18 N4 O3 S -
- C13 H18 N4 O3 S -
- C26 H36 N8 O6 S2 -
2
1
KA1064
Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko
Three substituted 3-aminopropenoates
Acta Crystallographica Section C
1,994
50
11
1842
1846
10.1107/S0108270193013423
0.71069
MoKα
0.06
0.042
null
0.058
0.044
null
null
null
0.983
1.019
1.019
null
null
null
has coordinates
Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko Three substituted 3-aminopropenoates Acta Crystallographica Section C 50(11) (1994) 1842-1846
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010205.cif $ #-------------------------------------------------------------------...
2,010,206
3.793
0.0006
15.704
0.002
25.035
0.002
90
null
90
null
90
null
1,491.2
0.3
293
null
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
- C8 H5 Cl N2 O -
- C8 H5 Cl N2 O -
- C64 H40 Cl8 N16 O8 -
8
2
KA1066
Gλówka, M.L.; Iwanicka, I.; Olczak, A.
6-Chloro-4(1<i>H</i>)-cinnolinone
Acta Crystallographica Section C
1,994
50
11
1770
1772
10.1107/S0108270194001058
1.54178
CuKα
null
0.043
null
null
0.058
null
null
null
null
0.77
0.77
null
null
null
has coordinates
Gλówka, M.L.; Iwanicka, I.; Olczak, A. 6-Chloro-4(1<i>H</i>)-cinnolinone Acta Crystallographica Section C 50(11) (1994) 1770-1772
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010206.cif $ #-------------------------------------------------------------------...
2,010,207
10.058
0.001
10.154
0.001
13.296
0.001
90
null
94.8
0.01
90
null
1,353.1
0.2
293
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C16 H23 N -
- C16 H23 N -
- C64 H92 N4 -
4
1
KA1074
Fröhlich, Roland; Grehl, Matthias; Kramm-Glade, Sigrid; Laschat, Sabine
Two octahydroacridines
Acta Crystallographica Section C
1,994
50
11
1798
1801
10.1107/S010827019400435X
0.71073
MoKα
null
0.061
null
null
0.196
null
null
null
null
1.175
1.175
null
null
null
has coordinates
Fröhlich, Roland; Grehl, Matthias; Kramm-Glade, Sigrid; Laschat, Sabine Two octahydroacridines Acta Crystallographica Section C 50(11) (1994) 1798-1801
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010207.cif $ #-------------------------------------------------------------------...
2,010,208
9.016
0.001
18.475
0.002
9.295
0.001
90
null
106.85
0.01
90
null
1,481.8
0.3
293
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C17 H25 N -
- C17 H25 N -
- C68 H100 N4 -
4
1
KA1074
Fröhlich, Roland; Grehl, Matthias; Kramm-Glade, Sigrid; Laschat, Sabine
Two octahydroacridines
Acta Crystallographica Section C
1,994
50
11
1798
1801
10.1107/S010827019400435X
1.54178
CuKα
null
0.072
null
null
0.209
null
null
null
null
1.035
1.035
null
null
null
has coordinates
Fröhlich, Roland; Grehl, Matthias; Kramm-Glade, Sigrid; Laschat, Sabine Two octahydroacridines Acta Crystallographica Section C 50(11) (1994) 1798-1801
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010208.cif $ #-------------------------------------------------------------------...
2,010,209
7.487
0.001
19.6
0.002
11.287
0.001
90
null
90
null
90
null
1,656.3
0.3
295
null
null
null
null
null
null
null
3
P n a 21
P 2c -2n
null
- C23 H17 N -
- C23 H17 N -
- C92 H68 N4 -
4
1
LI1076
Ondracek, J.; Novotny, J.; Petru, M.; Lhotak, P.; Kuthan, J.
2,4,6-Triphenylpyridine
Acta Crystallographica Section C
1,994
50
11
1809
1811
10.1107/S0108270194002441
0.71073
MoKα
null
0.039
null
null
0.039
null
null
null
null
0.35
0.35
null
null
null
has coordinates
Ondracek, J.; Novotny, J.; Petru, M.; Lhotak, P.; Kuthan, J. 2,4,6-Triphenylpyridine Acta Crystallographica Section C 50(11) (1994) 1809-1811
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010209.cif $ #-------------------------------------------------------------------...
2,010,210
10.003
0.002
14.636
0.003
28.724
0.007
90
null
90
null
90
null
4,205.3
1.6
296
null
null
null
null
null
null
null
4
P b c a
-P 2ac 2ab
null
- C27 H22 N2 O2 -
- C27 H22 N2 O2 -
- C216 H176 N16 O16 -
8
1
LI1081
He, Y.; Su, G.; Shi, J.
4,4'-Methylenediiminobis(benzophenone)
Acta Crystallographica Section C
1,994
50
11
1786
1788
10.1107/S0108270194002246
0.71069
MoKα
null
0.071
null
null
0.082
null
null
null
null
1.63
1.63
null
null
null
has coordinates
He, Y.; Su, G.; Shi, J. 4,4'-Methylenediiminobis(benzophenone) Acta Crystallographica Section C 50(11) (1994) 1786-1788
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010210.cif $ #-------------------------------------------------------------------...
2,010,211
11.967
0.009
18.125
0.009
19.502
0.007
90
null
106.62
0.03
90
null
4,053
4
296
null
296
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
[N,N'-o-phenylenebis(salicylideneaminato)]bis(ethanol)manganese(III) tetraphenylborate
- C48 H48 B Mn N2 O4 -
- C50 H49 B Mn N2 O4 -
- C200 H196 B4 Mn4 N8 O16 -
4
1
LI1115
McAuliffe, C.A.; Nabhan, A.; Pritchard, R.G.; Watkinson, M.; Bermejo, M.; Sousa, A.
[Mn(salphen)(EtOH)~2~](BPh~4~) [salphenH~2~ = <i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diaminobenzene], a further example of a photosynthetic model compound forming dimers linked by hydrogen and π bonds
Acta Crystallographica Section C
1,994
50
11
1676
1678
10.1107/S0108270194003379
0.71069
MoKα
null
0.0697
null
null
0.0669
null
null
null
null
1.512
1.512
null
null
null
has coordinates
McAuliffe, C.A.; Nabhan, A.; Pritchard, R.G.; Watkinson, M.; Bermejo, M.; Sousa, A. [Mn(salphen)(EtOH)~2~](BPh~4~) [salphenH~2~ = <i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diaminobenzene], a further example of a photosynthetic model compound forming dimers linked by hydrogen and π bonds Acta Crystallographica Section C ...
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010211.cif $ #-------------------------------------------------------------------...
2,010,212
13.627
0.003
16.619
0.006
23.942
0.004
90
null
90
null
90
null
5,422
2
301
2
301
2
null
null
null
null
5
P b c a
-P 2ac 2ab
61
- C29 H31 Co N5 O3.5 -
- C29 H31 Co N5 O3.5 -
- C232 H248 Co8 N40 O28 -
8
1
MU1118
Elerman, Yalcin; Kabak, Mehmet; Svoboda, Ingrid; Geselle, Marcus
{Tris[<i>N</i>-(salicylidene)-2-aminoethyl]amine}cobalt(III) acetonitrile hemihydrate
Acta Crystallographica Section C
1,994
50
11
1694
1696
10.1107/S0108270194005871
0.71069
MoKα
0.0952
0.051
null
0.1603
0.1316
null
null
null
1.115
1.181
1.181
null
null
null
has coordinates
Elerman, Yalcin; Kabak, Mehmet; Svoboda, Ingrid; Geselle, Marcus {Tris[<i>N</i>-(salicylidene)-2-aminoethyl]amine}cobalt(III) acetonitrile hemihydrate Acta Crystallographica Section C 50(11) (1994) 1694-1696
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010212.cif $ #-------------------------------------------------------------------...
2,010,213
5.578
0.001
15.006
0.003
6.275
0.002
90
null
117.83
0.02
90
null
464.5
0.2
293
null
293
null
null
null
null
null
7
I 1 2/a 1
null
- Dy0.028 Er0.018 Gd0.007 H4 O6 P Y0.947 -
- O6 P Y -
- O24 P4 Y4 -
4
0.5
Kohlmann, Monika; Sowa, Heidrun; Reithmayer, Klaus; Schulz, Heinz; Krüger, Rolf-Rüdiger; Abriel, Walter
Structure of a Y~1-x~(Gd,Dy,Er)~x~PO~4~.2H~2~O Microcrystal Studied Using Synchrotron Radiation
Acta Crystallographica Section C
1,994
50
1651
1652
null
null
0.077
null
null
0.052
null
null
null
null
null
null
null
null
null
has coordinates
Kohlmann, Monika; Sowa, Heidrun; Reithmayer, Klaus; Schulz, Heinz; Krüger, Rolf-Rüdiger; Abriel, Walter Structure of a Y~1-x~(Gd,Dy,Er)~x~PO~4~.2H~2~O Microcrystal Studied Using Synchrotron Radiation Acta Crystallographica Section C 50 (1994) 1651-1652
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010213.cif $ #-------------------------------------------------------------------...
2,010,214
5.995
0.001
9.08
0.001
20.379
0.002
90
null
90
null
90
null
1,109.3
0.2
293
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
null
- C12 H12 O4 -
- C12 H12 O4 -
- C48 H48 O16 -
4
1
NA1070
Bolte, M.; Beck, H.; Nieger, M.; Egert, E.
Structural investigation of some lactides
Acta Crystallographica Section C
1,994
50
11
1717
1721
10.1107/S0108270194001629
0.7107
MoKα
null
0.049
null
null
0.045
null
null
null
null
0.99
0.99
null
null
null
has coordinates
Bolte, M.; Beck, H.; Nieger, M.; Egert, E. Structural investigation of some lactides Acta Crystallographica Section C 50(11) (1994) 1717-1721
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010214.cif $ #-------------------------------------------------------------------...
2,010,215
11.405
0.001
8.354
0.001
17.142
0.001
90
null
90
null
90
null
1,633.2
0.3
293
null
null
null
null
null
null
null
3
P c a 21
P 2c -2ac
null
- C17 H22 O6 -
- C17 H22 O6 -
- C68 H88 O24 -
4
1
NA1070
Bolte, M.; Beck, H.; Nieger, M.; Egert, E.
Structural investigation of some lactides
Acta Crystallographica Section C
1,994
50
11
1717
1721
10.1107/S0108270194001629
0.7107
MoKα
null
0.034
null
null
0.041
null
null
null
null
1.14
1.14
null
null
null
has coordinates
Bolte, M.; Beck, H.; Nieger, M.; Egert, E. Structural investigation of some lactides Acta Crystallographica Section C 50(11) (1994) 1717-1721
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010215.cif $ #-------------------------------------------------------------------...
2,010,216
10.899
0.001
11.056
0.001
12.174
0.002
90
null
99.74
0.02
90
null
1,445.8
0.3
293
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C13 H22 O6 -
- C13 H22 O6 -
- C52 H88 O24 -
4
1
NA1070
Bolte, M.; Beck, H.; Nieger, M.; Egert, E.
Structural investigation of some lactides
Acta Crystallographica Section C
1,994
50
11
1717
1721
10.1107/S0108270194001629
0.7107
MoKα
null
0.046
null
null
0.052
null
null
null
null
1.34
1.34
null
null
null
has coordinates
Bolte, M.; Beck, H.; Nieger, M.; Egert, E. Structural investigation of some lactides Acta Crystallographica Section C 50(11) (1994) 1717-1721
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010216.cif $ #-------------------------------------------------------------------...
2,010,217
7.503
0.001
19.33
0.002
10.957
0.002
90
null
102.91
0.02
90
null
1,549
0.4
293
null
null
null
null
null
null
null
3
P 1 21 1
P 2yb
4
- C15 H22 O6 -
- C15 H22 O6 -
- C60 H88 O24 -
4
2
NA1070
Bolte, M.; Beck, H.; Nieger, M.; Egert, E.
Structural investigation of some lactides
Acta Crystallographica Section C
1,994
50
11
1717
1721
10.1107/S0108270194001629
0.7107
MoKα
null
0.041
null
null
0.048
null
null
null
null
1.27
1.27
null
null
null
has coordinates
Bolte, M.; Beck, H.; Nieger, M.; Egert, E. Structural investigation of some lactides Acta Crystallographica Section C 50(11) (1994) 1717-1721
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010217.cif $ #-------------------------------------------------------------------...
2,010,218
10.1046
0.0014
4.7565
0.0011
11.677
0.003
90
null
92.09
0.02
90
null
560.9
0.2
150
2
150
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
trans-p,p-dibromoazobenzene
- C12 H8 Br2 N2 -
- C12 H8 Br2 N2 -
- C24 H16 Br4 N4 -
2
0.5
NA1099
Howard, Judith A.K.; Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony
A novel modification of <i>trans</i>-<i>p</i>,<i>p</i>'-dibromoazobenzene
Acta Crystallographica Section C
1,994
50
11
1818
1819
10.1107/S0108270194004579
0.71073
MoKα
0.0525
0.0288
null
0.0721
0.0641
null
null
null
1.065
1.111
1.111
null
null
null
has coordinates
Howard, Judith A.K.; Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony A novel modification of <i>trans</i>-<i>p</i>,<i>p</i>'-dibromoazobenzene Acta Crystallographica Section C 50(11) (1994) 1818-1819
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010218.cif $ #-------------------------------------------------------------------...
2,010,219
14.037
0.003
11.716
0.001
9.302
0.001
90
null
90
null
90
null
1,529.8
0.4
173
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C12 H28 I N -
- C12 H28 I N -
- C48 H112 I4 N4 -
4
1
OH1039
Yoshida, T.; Nagata, K.; Yasuniwa, M.; Yoshimatsu, M.; Wunderlich, B.
Low-temperature phase of tetrapropylammonium iodide
Acta Crystallographica Section C
1,994
50
11
1758
1760
10.1107/S0108270194000703
0.71069
MoKα
null
0.0292
null
null
0.0315
null
null
null
null
0.8657
0.8657
null
null
null
has coordinates
Yoshida, T.; Nagata, K.; Yasuniwa, M.; Yoshimatsu, M.; Wunderlich, B. Low-temperature phase of tetrapropylammonium iodide Acta Crystallographica Section C 50(11) (1994) 1758-1760
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010219.cif $ #-------------------------------------------------------------------...
2,010,220
8.098
0.001
9.929
0.002
7.515
0.003
92.65
0.02
94.56
0.02
96.37
0.02
597.7
0.3
298
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C24 H36 N2 O6 -
- C24 H36 N2 O6 -
- C24 H36 N2 O6 -
1
0.5
OH1060
Kashino, Setsuo; Iwamoto, Tetsuyuki; Hirata, Suehide; Mizoguchi, Jun-Ichi
Hexamethylenediammonium bis(β-phenylacrylate) dihydrate and hexamethylenediammonium 3,3'-(1,4-phenylene)diacrylate monohydrate
Acta Crystallographica Section C
1,994
50
11
1741
1745
10.1107/S0108270193014325
0.71073
MoKα
null
0.038
null
null
0.041
null
null
null
null
1.93
1.93
null
null
null
has coordinates
Kashino, Setsuo; Iwamoto, Tetsuyuki; Hirata, Suehide; Mizoguchi, Jun-Ichi Hexamethylenediammonium bis(β-phenylacrylate) dihydrate and hexamethylenediammonium 3,3'-(1,4-phenylene)diacrylate monohydrate Acta Crystallographica Section C 50(11) (1994) 1741-1745
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010220.cif $ #-------------------------------------------------------------------...
2,010,221
5.558
0.002
46.03
0.02
7.418
0.003
90
null
106.82
0.04
90
null
1,816.6
1.3
295
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C18 H28 N2 O5 -
- C18 H28 N2 O5 -
- C72 H112 N8 O20 -
4
1
OH1060
Kashino, Setsuo; Iwamoto, Tetsuyuki; Hirata, Suehide; Mizoguchi, Jun-Ichi
Hexamethylenediammonium bis(β-phenylacrylate) dihydrate and hexamethylenediammonium 3,3'-(1,4-phenylene)diacrylate monohydrate
Acta Crystallographica Section C
1,994
50
11
1741
1745
10.1107/S0108270193014325
0.71073
MoKα
null
0.06
null
null
0.045
null
null
null
null
1.41
1.41
null
null
null
has coordinates
Kashino, Setsuo; Iwamoto, Tetsuyuki; Hirata, Suehide; Mizoguchi, Jun-Ichi Hexamethylenediammonium bis(β-phenylacrylate) dihydrate and hexamethylenediammonium 3,3'-(1,4-phenylene)diacrylate monohydrate Acta Crystallographica Section C 50(11) (1994) 1741-1745
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010221.cif $ #-------------------------------------------------------------------...
2,010,222
8.41
0.001
13.762
0.001
9.53
0.001
90
null
105.57
0.11
90
null
1,062.5
0.6
290
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C11 H13 N O Se -
- C11 H13 N O Se -
- C44 H52 N4 O4 Se4 -
4
1
PA1088
Dupont, L.; Jacquemin, P.
2,4,4-Trimethyl-2<i>H</i>-1,2-benzoselenazin-3(4<i>H</i>)-one
Acta Crystallographica Section C
1,994
50
11
1801
1802
10.1107/S0108270194001691
1.5418
CuKα
null
0.075
null
null
0.07
null
null
null
null
0.63
0.63
null
null
null
has coordinates
Dupont, L.; Jacquemin, P. 2,4,4-Trimethyl-2<i>H</i>-1,2-benzoselenazin-3(4<i>H</i>)-one Acta Crystallographica Section C 50(11) (1994) 1801-1802
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010222.cif $ #-------------------------------------------------------------------...
2,010,223
11.335
0.002
7.418
0.002
15.424
0.003
90
null
102.16
0.02
90
null
1,267.8
0.5
273
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C13 H15 N5 -
- C13 H18 N5 -
- C52 H72 N20 -
4
1
PA1090
Rodier, N.; Rideau, O.; Robert, J.-M.; Le Baut, G.
<i>N</i>^2^-(4,6-Diméthylpyrid-2-yl)-<i>N</i>^1^-méthylpyrazine-2-carboxamidine
Acta Crystallographica Section C
1,994
50
11
1760
1762
10.1107/S0108270194001411
0.7107
MoKα
null
0.041
null
null
0.039
null
null
null
null
1.239
1.239
null
null
null
has coordinates
Rodier, N.; Rideau, O.; Robert, J.-M.; Le Baut, G. <i>N</i>^2^-(4,6-Diméthylpyrid-2-yl)-<i>N</i>^1^-méthylpyrazine-2-carboxamidine Acta Crystallographica Section C 50(11) (1994) 1760-1762
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010223.cif $ #-------------------------------------------------------------------...
2,010,224
19.573
0.006
7.333
0.002
27.31
0.006
90
null
103.78
0.02
90
null
3,807
1.8
273
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C13 H16 Cl3 N3 O6 -
- C13 H16 Cl3 N3 O6 -
- C104 H128 Cl24 N24 O48 -
8
1
PA1092
Rodier, N.; Belaissaoui, A.; Morpain, C.; Laude, B.
3-Méthoxycarbonyl-5-éthoxycarbonyl-1-(2,2,2-trichloro-1-éthoxycarbonylaminoéthyl)pyrazole, C~13~H~16~Cl~3~N~3~O~6~
Acta Crystallographica Section C
1,994
50
11
1762
1764
10.1107/S0108270194001526
0.71073
MoKα
null
0.041
null
null
0.044
null
null
null
null
1.353
1.353
null
null
null
has coordinates
Rodier, N.; Belaissaoui, A.; Morpain, C.; Laude, B. 3-Méthoxycarbonyl-5-éthoxycarbonyl-1-(2,2,2-trichloro-1-éthoxycarbonylaminoéthyl)pyrazole, C~13~H~16~Cl~3~N~3~O~6~ Acta Crystallographica Section C 50(11) (1994) 1762-1764
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010224.cif $ #-------------------------------------------------------------------...
2,010,225
10.515
0.01
13.295
0.01
9.349
0.01
90
null
90
null
90
null
1,307
2
293
2
293
2
null
null
null
null
6
P n m a
-P 2ac 2n
62
Dipyridiniomethane-Pentafluoroosmate(IV)
Dipyridiniomethane-Pentafluoroosmate(IV)
- C11 H12 Cl F5 N2 Os -
- C11 H12 Cl F5 N2 Os -
- C44 H48 Cl4 F20 N8 Os4 -
4
0.5
PA1129
Bruhn, Clemens; Preetz, Wilhelm
Dipyridiniomethane chloropentafluoroosmate(IV), [(C~5~H~5~N)~2~CH~2~][OsF~5~Cl]
Acta Crystallographica Section C
1,994
50
11
1687
1690
10.1107/S0108270194006633
0.71069
MoKα
0.0225
0.0196
null
0.0508
0.0489
null
null
null
1.173
1.178
1.178
null
null
null
has coordinates
Bruhn, Clemens; Preetz, Wilhelm Dipyridiniomethane chloropentafluoroosmate(IV), [(C~5~H~5~N)~2~CH~2~][OsF~5~Cl] Acta Crystallographica Section C 50(11) (1994) 1687-1690
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010225.cif $ #-------------------------------------------------------------------...
2,010,226
10.358
0.001
10.358
0.001
10.358
0.001
90
null
90
null
90
null
1,111.29
0.19
200
null
null
null
null
null
null
null
4
P a -3
-P 2ac 2ab 3
null
- C H N3 O6 -
- C H N3 O6 -
- C8 H8 N24 O48 -
8
0.333333
SE1040
Schodel, H.; Dienelt, R.; Bock, H.
Trinitromethane
Acta Crystallographica Section C
1,994
50
11
1790
1792
10.1107/S0108270194002131
0.71073
MoKα
null
0.0317
null
null
0.0772
null
null
null
null
1.067
1.067
null
null
null
has coordinates
Schodel, H.; Dienelt, R.; Bock, H. Trinitromethane Acta Crystallographica Section C 50(11) (1994) 1790-1792
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010226.cif $ #-------------------------------------------------------------------...
2,010,227
19.35
0.01
5.885
0.003
20.368
0.01
90
null
111.9
0.04
90
null
2,152
2
100
null
null
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
null
- C20 H21 F9 N2 O2 -
- C20 H21 F9 N2 O2 -
- C80 H84 F36 N8 O8 -
4
1
SH1082
Büchel, R.; Aebi, R.; Keese, R.; Venugopalan, P.
<i>rel</i>-(2<i>R</i>,5<i>R</i>)-1-Benzoyl-2-<i>tert</i>-butyl-3-methyl-5-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)imidazolidin-4-one at 100 K
Acta Crystallographica Section C
1,994
50
11
1803
1805
10.1107/S0108270194000132
0.71069
MoKα
null
0.052
null
null
0.065
null
null
null
null
1.826
1.826
null
null
null
has coordinates
Büchel, R.; Aebi, R.; Keese, R.; Venugopalan, P. <i>rel</i>-(2<i>R</i>,5<i>R</i>)-1-Benzoyl-2-<i>tert</i>-butyl-3-methyl-5-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)imidazolidin-4-one at 100 K Acta Crystallographica Section C 50(11) (1994) 1803-1805
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010227.cif $ #-------------------------------------------------------------------...
2,010,228
5.011
0.0004
13.01
0.003
8.922
0.001
90
null
93.15
0.008
90
null
580.77
0.16
287
1
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C10 H15 N3 O5 -
- C10 H15 N3 O5 -
- C20 H30 N6 O10 -
2
1
ST1089
Li, J.; Kumar, S.V.P.; Stuart, A.L.; Delbaere, L.T.J.; Gupta, S.V.
Structure and conformation of 5-hydroxymethyl-2'-deoxycytidine, C~10~H~15~N~3~O~5~
Acta Crystallographica Section C
1,994
50
11
1837
1839
10.1107/S0108270194001472
1.5418
CuKα
null
0.03
null
null
0.036
null
null
null
null
3.274
3.274
null
null
null
has coordinates
Li, J.; Kumar, S.V.P.; Stuart, A.L.; Delbaere, L.T.J.; Gupta, S.V. Structure and conformation of 5-hydroxymethyl-2'-deoxycytidine, C~10~H~15~N~3~O~5~ Acta Crystallographica Section C 50(11) (1994) 1837-1839
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010228.cif $ #-------------------------------------------------------------------...
2,010,229
10.604
0.001
9.066
0.001
13.904
0.001
90
null
96.62
0.01
90
null
1,327.8
0.2
291
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C13 H11 N O3 S -
- C13 H11 N O3 S -
- C52 H44 N4 O12 S4 -
4
1
AB1102
Hursthouse, M.B.; Ciechanowicz-Rutkowska, M.; Burgiel, M.; Zankowska-Jasińska, W.
5-Acetyl-6-methyl-3-phenyl-4-thioxo-3,4-dihydro-2<i>H</i>-1,3-oxazin-2-one
Acta Crystallographica Section C
1,994
50
12
2001
2003
10.1107/S0108270194004993
0.71069
MoKα
null
0.037
null
null
0.039
null
null
null
null
null
null
null
null
null
has coordinates
Hursthouse, M.B.; Ciechanowicz-Rutkowska, M.; Burgiel, M.; Zankowska-Jasińska, W. 5-Acetyl-6-methyl-3-phenyl-4-thioxo-3,4-dihydro-2<i>H</i>-1,3-oxazin-2-one Acta Crystallographica Section C 50(12) (1994) 2001-2003
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010229.cif $ #-------------------------------------------------------------------...
2,010,230
25.543
0.004
6.5659
0.0008
8.6913
0.0012
90
null
93.663
0.011
90
null
1,454.7
0.4
122
0.5
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C16 H19 N O3 -
- C16 H19 N O3 -
- C64 H76 N4 O12 -
4
2
AB1136
Diego, H. Lopez de
(<i>R</i>,<i>S</i>)-1-Phenylethylammonium (<i>S</i>)-mandelate
Acta Crystallographica Section C
1,994
50
12
1995
1998
10.1107/S0108270194003884
1.5418
CuKα
null
0.0533
null
null
0.1487
null
null
null
null
1.059
1.059
null
null
null
has coordinates
Diego, H. Lopez de (<i>R</i>,<i>S</i>)-1-Phenylethylammonium (<i>S</i>)-mandelate Acta Crystallographica Section C 50(12) (1994) 1995-1998
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010230.cif $ #-------------------------------------------------------------------...
2,010,231
10.113
0.002
10.546
0.002
8.618
0.001
105.64
0.02
102.1
0.02
113.63
0.02
756.5
0.3
296
null
null
null
null
null
null
null
3
P -1
-P 1
2
- C17 H16 O5 -
- C17 H16 O5 -
- C34 H32 O10 -
2
1
AB1137
Stomberg, R.; Ibrahim, W.; Li, S.; Lundquist, K.; Westermark, U.
(<i>Z</i>)-2-(2-Methoxyphenoxy)-3-(4-methoxyphenyl)propenoic acid
Acta Crystallographica Section C
1,994
50
12
2019
2022
10.1107/S010827019400329X
1.54178
CuKα
null
0.042
null
null
0.053
null
null
null
null
2.37
2.37
null
null
null
has coordinates
Stomberg, R.; Ibrahim, W.; Li, S.; Lundquist, K.; Westermark, U. (<i>Z</i>)-2-(2-Methoxyphenoxy)-3-(4-methoxyphenyl)propenoic acid Acta Crystallographica Section C 50(12) (1994) 2019-2022
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010231.cif $ #-------------------------------------------------------------------...
2,010,232
11.057
0.003
12.937
0.002
13.639
0.004
90
null
90
null
90
null
1,951
0.8
296
null
null
null
null
null
null
null
4
P n a 21
P 2c -2n
33
- C15 H23 B10 P -
- C15 H23 B10 P -
- C60 H92 B40 P4 -
4
1
AB1140
Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R.
1-Diphenylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)
Acta Crystallographica Section C
1,994
50
12
2027
2030
10.1107/S0108270194003306
0.71069
MoKα
null
0.048
null
null
0.047
null
null
null
null
1.39
1.39
null
null
null
has coordinates
Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R. 1-Diphenylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12) Acta Crystallographica Section C 50(12) (1994) 2027-2030
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010232.cif $ #-------------------------------------------------------------------...
2,010,233
25.058
0.004
25.058
0.004
13.585
0.002
90
null
90
null
120
null
7,387
2
293
null
null
null
null
null
null
null
6
R 3 c :H
R 3 -2"c
161
- C8 H18 N4 O4 S2 Zn -
- C8 H18 N4 O4 S2 Zn -
- C144 H324 N72 O72 S36 Zn18 -
18
1
AB1149
Smolander, K.; Ahlgrèn, M.; Melník, M.; Skorsepa, J.; Györyovà, K.
Monomeric (dipropionato-<i>O</i>)(dithiourea-<i>S</i>)zinc(II)
Acta Crystallographica Section C
1,994
50
12
1900
1902
10.1107/S0108270194004397
0.71073
MoKα
null
0.0292
null
null
0.0343
null
null
null
null
0.95
0.95
null
null
null
has coordinates
Smolander, K.; Ahlgrèn, M.; Melník, M.; Skorsepa, J.; Györyovà, K. Monomeric (dipropionato-<i>O</i>)(dithiourea-<i>S</i>)zinc(II) Acta Crystallographica Section C 50(12) (1994) 1900-1902
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010233.cif $ #-------------------------------------------------------------------...
2,010,234
16.283
0.003
8.15
0.002
20.697
0.004
90
null
97.56
0.03
90
null
2,722.8
1
296
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C17 H15 N3 -
- C17 H15 N3 -
- C136 H120 N24 -
8
2
AB1155
Klinga, M.; Polamo, M.; Leskelä, M.
2,6-Bis(phenylamino)pyridine
Acta Crystallographica Section C
1,994
50
12
2051
2054
10.1107/S0108270194005111
0.71073
MoKα
null
0.0542
null
null
0.0449
null
null
null
null
2.16
2.16
null
null
null
has coordinates
Klinga, M.; Polamo, M.; Leskelä, M. 2,6-Bis(phenylamino)pyridine Acta Crystallographica Section C 50(12) (1994) 2051-2054
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010234.cif $ #-------------------------------------------------------------------...
2,010,235
11.069
0.001
11.208
0.001
9.915
0.001
90
null
101.396
0.009
90
null
1,205.8
0.2
296
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
- C12 H16 O S2 -
- C12 H20 O2 S2 -
- C48 H80 O8 S8 -
4
0.5
AB1168
Kivekäs, Raikko; Sillanpää, Reijo; Escriche, Lluis; Almajano, M. Pilar; Teixidor, Francesc; Casabó, Jaume
6-Oxa-3,9-dithiabicyclo[9.4.0]pentadeca-1(11),12,14-triene
Acta Crystallographica Section C
1,994
50
12
2047
2049
10.1107/S0108270194008395
0.71069
MoKα
null
0.044
null
null
0.055
null
null
null
null
2.23
2.23
null
null
null
has coordinates
Kivekäs, Raikko; Sillanpää, Reijo; Escriche, Lluis; Almajano, M. Pilar; Teixidor, Francesc; Casabó, Jaume 6-Oxa-3,9-dithiabicyclo[9.4.0]pentadeca-1(11),12,14-triene Acta Crystallographica Section C 50(12) (1994) 2047-2049
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010235.cif $ #-------------------------------------------------------------------...
2,010,236
14.502
0.002
10.904
0.003
14.503
0.002
90
null
90.34
0.01
90
null
2,293.3
0.8
296
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
- C26 H26 O4 S2 -
- C26 H26 O4 S2 -
- C104 H104 O16 S8 -
4
0.5
AB1169
Sillanpää, Reijo; Kivekäs, Raikko; Escriche, Lluis; Lucena, Natividad; Teixidor, Francesc; Casabó, Jaume
Diethyl 2,2'-[1,3-phenylenebis(methylthio)]dibenzoate
Acta Crystallographica Section C
1,994
50
12
2049
2051
10.1107/S0108270194008401
0.71069
MoKα
null
0.052
null
null
0.056
null
null
null
null
1.78
1.78
null
null
null
has coordinates
Sillanpää, Reijo; Kivekäs, Raikko; Escriche, Lluis; Lucena, Natividad; Teixidor, Francesc; Casabó, Jaume Diethyl 2,2'-[1,3-phenylenebis(methylthio)]dibenzoate Acta Crystallographica Section C 50(12) (1994) 2049-2051
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010236.cif $ #-------------------------------------------------------------------...
2,010,237
10.793
0.002
8.168
0.002
11.289
0.002
90
null
91.3
0.03
90
null
995
0.4
293
2
293
2
null
null
null
null
4
P 1 21 1
P 2yb
4
N-Acetylandrost-4-ene-3-one[16,17-d]-3'-methylpyrazole
- C23 H30 N2 O3 -
- C23 H30 N2 O2 -
- C46 H60 N4 O4 -
2
1
AB1175
Lindeman, Sergey V.; Yanovsky, Alexandr I.; Struchkov, Yurii T.; Huipe Nava, Ezequiel; Kamernitzky, Alexey V.; Skorova, Alina V.; Vesela, Irina V.
<i>N</i>^1^-Acetyl-3'-methylandrosta-4,16-dieno[16,17-<i>d</i>]pyrazole-3-one
Acta Crystallographica Section C
1,994
50
12
2054
2056
10.1107/S0108270194004737
0.71069
MoKα
0.0524
0.0513
null
0.1284
0.127
null
null
null
1.053
1.053
1.053
null
null
null
has coordinates
Lindeman, Sergey V.; Yanovsky, Alexandr I.; Struchkov, Yurii T.; Huipe Nava, Ezequiel; Kamernitzky, Alexey V.; Skorova, Alina V.; Vesela, Irina V. <i>N</i>^1^-Acetyl-3'-methylandrosta-4,16-dieno[16,17-<i>d</i>]pyrazole-3-one Acta Crystallographica Section C 50(12) (1994) 2054-2056
201,957
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010237.cif $ #-------------------------------------------------------------------...
2,010,238
20.787
0.003
11.3823
0.0008
19.443
0.003
90
null
97.1
0.02
90
null
4,565
1
293
2
293
2
null
null
null
null
3
C 1 2/c 1
-C 2yc
15
H~2~omtaa
2,3,6,8,11,12,15,17-octamethyl-5,14-dihydro-5,9,14,18-tetraaza-dibenzo[a,h]- cyclotetradecene
- C26 H32 N4 -
- C26 H32 N4 -
- C208 H256 N32 -
8
1
AB1194
Alcock, Nathaniel W.; Cannadine, Jason C.; Errington, William; Moore, Peter; Wallbridge, Malcolm G.H.
A dibenzotetraaza[14]annulene
Acta Crystallographica Section C
1,994
50
12
2037
2039
10.1107/S0108270194008206
0.71073
MoKα
0.0941
0.0404
null
0.0947
0.0749
null
null
null
0.771
1.012
1.012
null
null
null
has coordinates
Alcock, Nathaniel W.; Cannadine, Jason C.; Errington, William; Moore, Peter; Wallbridge, Malcolm G.H. A dibenzotetraaza[14]annulene Acta Crystallographica Section C 50(12) (1994) 2037-2039
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010238.cif $ #-------------------------------------------------------------------...
2,010,239
14.36
0.002
13.369
0.002
12.905
0.002
90
null
99.95
0.01
90
null
2,440.2
0.6
293
null
null
null
null
null
null
null
5
C 1 2 1
C 2y
null
- C38 H60 N8 O8 S2 -
- C28.455 H52 N8 O8 S2 -
- C56.91 H104 N16 O16 S4 -
2
0.5
AS1088
In, Y.; Doi, M.; Inoue, M.; Ishida, T.
Structure of ascidiacyclamide as the ethanol water solvate, a cytotoxic cyclic peptide from <i>Ascidian</i>
Acta Crystallographica Section C
1,994
50
12
2015
2017
10.1107/S0108270194000685
1.5418
CuKα
null
0.055
null
null
0.08
null
null
null
null
1.285
1.285
null
null
null
has coordinates
In, Y.; Doi, M.; Inoue, M.; Ishida, T. Structure of ascidiacyclamide as the ethanol water solvate, a cytotoxic cyclic peptide from <i>Ascidian</i> Acta Crystallographica Section C 50(12) (1994) 2015-2017
191,977
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-02-10 18:21:58 +0200 (Fri, 10 Feb 2017) $ #$Revision: 191977 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010239.cif $ #-------------------------------------------------------------------...
2,010,240
10.74
0.002
17.606
0.004
19.775
0.004
90
null
102.39
0.02
90
null
3,652.1
1.3
294
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C24 H50 Cl2 N12 O10 -
- C24 H42 Cl2 N12 O10 -
- C96 H168 Cl8 N48 O40 -
4
1
AS1097
Hu, N.-H.
A hydroxide inclusion complex of a methylene-bridged tetrapyrimidinium macrocycle
Acta Crystallographica Section C
1,994
50
12
2082
2085
10.1107/S0108270194003483
0.71069
MoKα
null
0.078
null
null
0.086
null
null
null
null
3.36
3.36
null
null
null
has coordinates
Hu, N.-H. A hydroxide inclusion complex of a methylene-bridged tetrapyrimidinium macrocycle Acta Crystallographica Section C 50(12) (1994) 2082-2085
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010240.cif $ #-------------------------------------------------------------------...
2,010,241
13.559
0.003
5.936
0.003
16.339
0.003
90
null
107.8
0.02
90
null
1,252.1
0.7
296
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
- C6 H16 Cl N5 O5 -
- C6 H16 Cl N5 O5 -
- C24 H64 Cl4 N20 O20 -
4
2
AS1098
Okabe, N.; Kohyama, Y.; Ikeda, K.; Sunano, S.
<small>L</small>-Nitroarginine monohydrochloride monohydrate
Acta Crystallographica Section C
1,994
50
12
2041
2043
10.1107/S0108270194004208
0.71069
MoKα
null
0.056
null
null
0.057
null
null
null
null
1.59
1.59
null
null
null
has coordinates
Okabe, N.; Kohyama, Y.; Ikeda, K.; Sunano, S. <small>L</small>-Nitroarginine monohydrochloride monohydrate Acta Crystallographica Section C 50(12) (1994) 2041-2043
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010241.cif $ #-------------------------------------------------------------------...
2,010,242
22.46
0.01
10.051
0.001
13.096
0.006
90
null
90.65
0.03
90
null
2,956.2
1.9
297
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
- C13 H10 N4 O8 -
- C13 H10 N4 O8 -
- C104 H80 N32 O64 -
8
1
AS1101
Lynch, D.E.; Smith, G.; Byriel, K.A.; Kennard, C.H.L.
Molecular co-crystals of carboxylic acids. 18. 1:1 Adduct of 1,3,5-trinitrobenzene with 4-aminobenzoic acid
Acta Crystallographica Section C
1,994
50
12
2079
2082
10.1107/S0108270194003835
0.71073
MoKα
null
0.049
null
null
0.043
null
null
null
null
2.05
2.05
null
null
null
has coordinates
Lynch, D.E.; Smith, G.; Byriel, K.A.; Kennard, C.H.L. Molecular co-crystals of carboxylic acids. 18. 1:1 Adduct of 1,3,5-trinitrobenzene with 4-aminobenzoic acid Acta Crystallographica Section C 50(12) (1994) 2079-2082
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010242.cif $ #-------------------------------------------------------------------...
2,010,243
5.44
0.001
10.108
0.001
11.484
0.002
90
null
103.03
0.02
90
null
615.22
0.17
296
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
- C7 H16 Cl N5 O4 -
- C7 H16 Cl N5 O4 -
- C14 H32 Cl2 N10 O8 -
2
1
AS1106
Okabe, N.; Ikeda, K.; Kohyama, Y.
<i>N</i>^{η^}-Nitro-<small>L</small>-arginine methyl ester hydrochloride
Acta Crystallographica Section C
1,994
50
12
2088
2089
10.1107/S0108270194004609
0.71069
MoKα
null
0.048
null
null
0.052
null
null
null
null
1.58
1.58
null
null
null
has coordinates
Okabe, N.; Ikeda, K.; Kohyama, Y. <i>N</i>^{η^}-Nitro-<small>L</small>-arginine methyl ester hydrochloride Acta Crystallographica Section C 50(12) (1994) 2088-2089
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010243.cif $ #-------------------------------------------------------------------...
2,010,244
13.554
0.002
11.766
0.002
6.148
0.0008
90
null
90
null
90
null
980.5
0.3
180
null
null
null
null
null
null
null
4
P n m a
-P 2ac 2n
62
- C9 H20 B N -
- C9 H20 B N -
- C36 H80 B4 N4 -
4
0.5
AS1111
Tham, W.-Y.; White, J.M.
1-Azabicyclo[4.4.0]decane borine adduct
Acta Crystallographica Section C
1,994
50
12
2074
2076
10.1107/S0108270194005299
0.71069
MoKα
null
0.036
null
null
0.1
null
null
null
null
1.04
1.04
null
null
null
has coordinates
Tham, W.-Y.; White, J.M. 1-Azabicyclo[4.4.0]decane borine adduct Acta Crystallographica Section C 50(12) (1994) 2074-2076
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010244.cif $ #-------------------------------------------------------------------...
2,010,245
5.506
0.001
9.754
0.002
20.339
0.002
90
null
91.19
0.02
90
null
1,092.1
0.3
295
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
- C14 H9 N3 -
- C14 H9 N3 -
- C56 H36 N12 -
4
1
AS1112
Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.
Structures of pyrazolo[1,5-<i>a</i>]pyridine derivatives
Acta Crystallographica Section C
1,994
50
12
1998
2000
10.1107/S0108270194004749
0.71069
MoKα
null
0.047
null
null
0.053
null
null
null
null
1.57
1.57
null
null
null
has coordinates
Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N. Structures of pyrazolo[1,5-<i>a</i>]pyridine derivatives Acta Crystallographica Section C 50(12) (1994) 1998-2000
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010245.cif $ #-------------------------------------------------------------------...
2,010,246
16.94
0.002
5.68
0.001
17.388
0.001
90
null
115.88
0.006
90
null
1,505.3
0.3
293
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C15 H11 Cl N2 O S2 -
- C15 H11 Cl N2 O S2 -
- C60 H44 Cl4 N8 O4 S8 -
4
1
AS1112
Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.
Structures of pyrazolo[1,5-<i>a</i>]pyridine derivatives
Acta Crystallographica Section C
1,994
50
12
1998
2000
10.1107/S0108270194004749
0.71069
MoKα
null
0.043
null
null
0.046
null
null
null
null
1.29
1.29
null
null
null
has coordinates
Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N. Structures of pyrazolo[1,5-<i>a</i>]pyridine derivatives Acta Crystallographica Section C 50(12) (1994) 1998-2000
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010246.cif $ #-------------------------------------------------------------------...
2,010,247
13.192
0.004
13.865
0.006
9.822
0.003
104.02
0.03
110.14
0.02
106.22
0.03
1,501.1
1.1
296
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C42 H56 F24 N8 O8 P4 Re2 -
- C42 H56 F24 N8 O8 P4 Re2 -
- C42 H56 F24 N8 O8 P4 Re2 -
1
0.5
AS1122
Takahira, T.; Umakoshi, K.; Sasaki, Y.
Di-μ-oxo-bis{[tris(2-pyridylmethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']rhenium(IV)} tetrakis(hexafluorophosphate) diacetone tetrahydrate
Acta Crystallographica Section C
1,994
50
12
1870
1872
10.1107/S0108270194008267
0.71069
MoKα
null
0.045
null
null
0.051
null
null
null
null
1.73
1.73
null
null
null
has coordinates
Takahira, T.; Umakoshi, K.; Sasaki, Y. Di-μ-oxo-bis{[tris(2-pyridylmethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']rhenium(IV)} tetrakis(hexafluorophosphate) diacetone tetrahydrate Acta Crystallographica Section C 50(12) (1994) 1870-1872
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010247.cif $ #-------------------------------------------------------------------...
2,010,248
8.938
0.001
10.207
0.002
7.788
0.001
90
null
90
null
90
null
710.5
0.18
293
null
293
null
null
null
null
null
4
P c a 21
P 2c -2ac
29
DL-valine NCA
N-carboxy-DL-valine anhydride
- C6 H9 N O3 -
- C6 H9 N O3 -
- C24 H36 N4 O12 -
4
1
AS1125
Takenaka, Yasuyuki; Ohashi, Yuji; Kanazawa, Hitoshi
<small>DL</small>-Valine NCA
Acta Crystallographica Section C
1,994
50
12
1950
1952
10.1107/S0108270194007067
1.5418
CuKα
null
0.069
null
null
0.113
null
null
null
null
1.084
1.084
null
null
null
has coordinates
Takenaka, Yasuyuki; Ohashi, Yuji; Kanazawa, Hitoshi <small>DL</small>-Valine NCA Acta Crystallographica Section C 50(12) (1994) 1950-1952
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010248.cif $ #-------------------------------------------------------------------...
2,010,249
9.674
0.002
21.597
0.006
19.174
0.002
90
null
98.84
0.01
90
null
3,958.4
1.4
293
null
23
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C21 H21 Au Cl P -
- C21 H21 Au Cl P -
- C168 H168 Au8 Cl8 P8 -
8
2
AS1129
Cookson, P. D.; Tiekink, E. R. T.
Chloro[tri(<i>p</i>-tolyl)phosphine]gold(I)
Acta Crystallographica Section C
1,994
50
12
1896
1898
10.1107/S0108270194007821
0.7107
MoKα
null
0.036
null
null
0.029
null
null
null
null
1.34
1.34
null
null
null
has coordinates
Cookson, P. D.; Tiekink, E. R. T. Chloro[tri(<i>p</i>-tolyl)phosphine]gold(I) Acta Crystallographica Section C 50(12) (1994) 1896-1898
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010249.cif $ #-------------------------------------------------------------------...
2,010,250
20.908
0.008
13.088
0.004
12.884
0.004
102.65
0.02
95.94
0.03
77.05
0.03
3,347
2
150
null
150
null
null
null
null
null
5
P -1
-P 1
2
Octasodium Hydrogen Decatungstogadolinate Triacontahydrate
- Gd H61 Na8 O66 W10 -
- Gd Na8 O66 W10 -
- Gd2 Na16 O132 W20 -
2
1
AS1132
Yamase, Toshihiro; Ozeki, Tomoji; Tosaka, Minoru
Octasodium hydrogen decatungstogadolinate triacontahydrate
Acta Crystallographica Section C
1,994
50
12
1849
1852
10.1107/S0108270194008255
0.71069
MoKα
null
0.065
null
null
0.086
null
null
null
null
1.72
1.72
null
null
null
has coordinates
Yamase, Toshihiro; Ozeki, Tomoji; Tosaka, Minoru Octasodium hydrogen decatungstogadolinate triacontahydrate Acta Crystallographica Section C 50(12) (1994) 1849-1852
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010250.cif $ #-------------------------------------------------------------------...
2,010,251
9.829
0.003
11.632
0.004
14.482
0.003
90
null
90
null
90
null
1,655.7
0.8
293
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C18 H20 O4 S -
- C18 H20 O4 S -
- C72 H80 O16 S4 -
4
1
BK1020
Soriano-Garcia, M.; Rodriguez-Romero, A.; Villena, R.; Yuste, F.
(3<i>S</i>,3a<i>R</i>,4<i>R</i>,7<i>S</i>,7a<i>S</i>,S<i>S</i>)-3-Ethoxy-3a,4,7,7a-tetrahydro-4,7-methano-7a-<i>p</i>-tolysulfinyl-1(3<i>H</i>)-isobenzofuranone
Acta Crystallographica Section C
1,994
50
12
2093
2094
10.1107/S0108270194004762
1.5418
CuKα
null
0.039
null
null
0.058
null
null
null
null
2.49
2.49
null
null
null
has coordinates
Soriano-Garcia, M.; Rodriguez-Romero, A.; Villena, R.; Yuste, F. (3<i>S</i>,3a<i>R</i>,4<i>R</i>,7<i>S</i>,7a<i>S</i>,S<i>S</i>)-3-Ethoxy-3a,4,7,7a-tetrahydro-4,7-methano-7a-<i>p</i>-tolysulfinyl-1(3<i>H</i>)-isobenzofuranone Acta Crystallographica Section C 50(12) (1994) 2093-2094
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010251.cif $ #-------------------------------------------------------------------...
2,010,252
12.125
0.002
7.593
0.002
15.216
0.003
90
null
112.86
0.03
90
null
1,290.8
0.6
293
2
293
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
Dichloro[6-methyl-2-N'-(2'-pyridylmethyl)pyridine-N,N']copper(II)
- C12 H12 Cl2 Cu N2 -
- C12 H12 Cl2 Cu N2 -
- C48 H48 Cl8 Cu4 N8 -
4
1
BK1029
Garcia, A. M.; Manzur, J.; Spodine, E.; Baggio, R. F.; Garland, M. T.
Dichloro[6-methyl-2-(2-pyridylmethyl)pyridine-<i>N</i>,<i>N</i>']copper(II)
Acta Crystallographica Section C
1,994
50
12
1882
1884
10.1107/S010827019400716X
0.71073
MoKα
0.0598
0.0476
null
0.1229
0.1137
null
null
null
1.123
1.163
1.163
null
null
null
has coordinates
Garcia, A. M.; Manzur, J.; Spodine, E.; Baggio, R. F.; Garland, M. T. Dichloro[6-methyl-2-(2-pyridylmethyl)pyridine-<i>N</i>,<i>N</i>']copper(II) Acta Crystallographica Section C 50(12) (1994) 1882-1884
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010252.cif $ #-------------------------------------------------------------------...
2,010,253
11.978
0.001
13.2165
0.0008
10.375
0.002
106.387
0.008
106.95
0.01
75.253
0.006
1,480.5
0.3
294
null
294.2
null
null
null
null
null
6
P -1
-P 1
2
Tris[2-(5'-bromo-2'-hydroxyphenyl)-2-oxazolinato]aluminum(III) methanol solvate
- C28 H25 Al Br3 N3 O7 -
- C28 H25 Al Br3 N3 O7 -
- C56 H50 Al2 Br6 N6 O14 -
2
1
BK1052
Hoveyda, H. R.; Orvig, Chris; Rettig, Steven J.
<i>mer</i>-Tris[2-(5-bromo-2-hydroxyphenyl)-2-oxazolinato]aluminium(III) methanol solvate
Acta Crystallographica Section C
1,994
50
12
1906
1909
10.1107/S0108270194007729
1.5418
CuKα
null
0.039
null
null
0.056
null
null
null
null
3.46
3.46
null
null
null
has coordinates
Hoveyda, H. R.; Orvig, Chris; Rettig, Steven J. <i>mer</i>-Tris[2-(5-bromo-2-hydroxyphenyl)-2-oxazolinato]aluminium(III) methanol solvate Acta Crystallographica Section C 50(12) (1994) 1906-1909
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010253.cif $ #-------------------------------------------------------------------...
2,010,254
31.998
0.008
10.1595
0.0011
20.373
0.003
90
null
111.557
0.017
90
null
6,160
2
293
null
293
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
Spiro [2,2,3,3-tetrakis (3,5-dimethylpyrazolyl)cyclotriphosphazene - 1-phospha-2,5- diazacyclohexane]
- C23 H36 N13 P3 -
- C23 H36 N13 P3 -
- C184 H288 N104 P24 -
8
1
BK1057
Cordes, A.W.; Folkert, S.; Bryan, C.D.; Chandrasekhar, V.; Thomas, K.R.J.
2,2,4,4-Tetrakis(3,5-dimethylpyrazol-1-yl)-2λ^5^,4λ^5^,6λ^5^-cyclotriphosphaza-1,3,5-triene-6-spiro-2'-1',3'-diaza-2'-phosphacyclohexane, C~23~H~36~N~13~P~3~
Acta Crystallographica Section C
1,994
50
12
1976
1978
10.1107/S0108270194007006
0.7093
MoKα
0.135
0.052
null
0.092
0.073
null
null
null
null
1.15
1.15
null
null
null
has coordinates
Cordes, A.W.; Folkert, S.; Bryan, C.D.; Chandrasekhar, V.; Thomas, K.R.J. 2,2,4,4-Tetrakis(3,5-dimethylpyrazol-1-yl)-2λ^5^,4λ^5^,6λ^5^-cyclotriphosphaza-1,3,5-triene-6-spiro-2'-1',3'-diaza-2'-phosphacyclohexane, C~23~H~36~N~13~P~3~ Acta Crystallographica Section C 50(12) (1994) 1976-1978
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010254.cif $ #-------------------------------------------------------------------...
2,010,255
7.341
0.001
7.722
0.002
6.024
0.001
110.47
0.02
102.64
0.02
104.87
0.02
290.7
0.13
296
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C H7 N5 O3 -
- C H7 N5 O3 -
- C2 H14 N10 O6 -
2
1
BK1062
Akella, Annapoorna; Keszler, Douglas A.
Aminoguanidinium nitrate
Acta Crystallographica Section C
1,994
50
12
1974
1976
10.1107/S0108270194007730
0.71073
MoKα
null
0.044
null
null
0.054
null
null
null
null
1.44
1.44
null
null
null
has coordinates
Akella, Annapoorna; Keszler, Douglas A. Aminoguanidinium nitrate Acta Crystallographica Section C 50(12) (1994) 1974-1976
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010255.cif $ #-------------------------------------------------------------------...
2,010,256
8.405
0.002
12.846
0.003
13.739
0.004
114.45
0.02
90.53
0.02
83.14
0.03
1,339.4
0.6
294
1
null
null
null
null
null
null
6
P -1
-P 1
2
- C21 H24 Mo2 N4 O10 S2 -
- C21 H24 Mo2 N4 O10 S2 -
- C42 H48 Mo4 N8 O20 S4 -
2
1
BR1062
Wang, X.; Zhang, X.-M.; Liu, H.-X.
Allomorphs of a complex of [Mo(O)~2~(dmso)] with a derivative of SADH
Acta Crystallographica Section C
1,994
50
12
1878
1880
10.1107/S0108270194003987
1.5418
CuKα
null
0.043
null
null
0.05
null
null
null
null
2.16
2.16
null
null
null
has coordinates
Wang, X.; Zhang, X.-M.; Liu, H.-X. Allomorphs of a complex of [Mo(O)~2~(dmso)] with a derivative of SADH Acta Crystallographica Section C 50(12) (1994) 1878-1880
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010256.cif $ #-------------------------------------------------------------------...
2,010,257
4.8217
0.0008
4.8217
0.0008
15.438
0.001
90
null
90
null
120
null
310.83
0.08
296
null
null
null
null
null
null
null
3
R -3 c :H
-R 3 2"c
167
- B In O3 -
- B In O3 -
- B6 In6 O18 -
6
0.166667
BR1064
Cox, J.R.; Keszler, D.A.
InBO~3~
Acta Crystallographica Section C
1,994
50
12
1857
1859
10.1107/S0108270194003999
0.71069
MoKα
null
0.02
null
null
0.024
null
null
null
null
1.48
1.48
null
null
null
has coordinates
Cox, J.R.; Keszler, D.A. InBO~3~ Acta Crystallographica Section C 50(12) (1994) 1857-1859
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010257.cif $ #-------------------------------------------------------------------...
2,010,258
12.355
0.005
8.025
0.003
6.298
0.002
90
null
90
null
90
null
624.4
0.4
300
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
- N O3 Tl -
- N O3 Tl -
- N8 O24 Tl8 -
8
1
BR1066
Sastry, P.U.M.; Rajagopal, H.; Sequiera, A.
Thallous nitrate (III): a single-crystal neutron study
Acta Crystallographica Section C
1,994
50
12
1854
1857
10.1107/S0108270194005469
neutron
1.216
neutron
null
0.0165
null
null
0.039
null
null
null
null
1.473
1.473
null
null
null
has coordinates
Sastry, P.U.M.; Rajagopal, H.; Sequiera, A. Thallous nitrate (III): a single-crystal neutron study Acta Crystallographica Section C 50(12) (1994) 1854-1857
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010258.cif $ #-------------------------------------------------------------------...
2,010,259
12.454
0.01
12.454
0.01
18.066
0.011
90
null
90
null
90
null
2,802
4
130
null
null
null
null
null
null
null
2
I 4/m m m
-I 4 2
139
- Sb10 Sr11 -
- Sb10 Sr11 -
- Sb40 Sr44 -
4
0.125
BR1073
Rehr, A.; Kauzlarich, S.M.
Sr~11~Sb~10~
Acta Crystallographica Section C
1,994
50
12
1859
1861
10.1107/S0108270194003951
0.71073
MoKα
null
0.0799
null
null
0.0886
null
null
null
null
1.31
1.31
null
null
null
has coordinates
Rehr, A.; Kauzlarich, S.M. Sr~11~Sb~10~ Acta Crystallographica Section C 50(12) (1994) 1859-1861
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010259.cif $ #-------------------------------------------------------------------...
2,010,260
9.01
0.002
9.01
0.002
6.779
0.002
90
null
90
null
90
null
550.3
0.2
293
1
null
null
null
null
null
null
5
I -4 2 m
I -4 2
121
- B2 Ba0.265 Cu2 O6 Sr0.735 -
- B2 Ba Cu2 O6 Sr -
- B8 Ba4 Cu8 O24 Sr4 -
4
0.25
BR1074
Norrestam, R.; Carlson, S.; Sjödin, A.
Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~
Acta Crystallographica Section C
1,994
50
12
1847
1849
10.1107/S0108270194007419
0.71073
MoKα
null
0.027
null
null
0.035
null
null
null
null
1
1
null
null
null
has coordinates
Norrestam, R.; Carlson, S.; Sjödin, A. Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~ Acta Crystallographica Section C 50(12) (1994) 1847-1849
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010260.cif $ #-------------------------------------------------------------------...
2,010,261
8.9692
0.0009
8.9692
0.0009
6.54
0.001
90
null
90
null
90
null
526.12
0.11
293
1
null
null
null
null
null
null
5
I -4 2 m
I -4 2
121
- B2 Ca0.339 Cu2 O6 Sr0.661 -
- B2 Ca Cu2 O6 Sr -
- B8 Ca4 Cu8 O24 Sr4 -
4
0.25
BR1074
Norrestam, R.; Carlson, S.; Sjödin, A.
Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~
Acta Crystallographica Section C
1,994
50
12
1847
1849
10.1107/S0108270194007419
0.71073
MoKα
null
0.024
null
null
0.03
null
null
null
null
1.27
1.27
null
null
null
has coordinates
Norrestam, R.; Carlson, S.; Sjödin, A. Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~ Acta Crystallographica Section C 50(12) (1994) 1847-1849
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010261.cif $ #-------------------------------------------------------------------...
2,010,262
7.2796
0.0007
15.755
0.002
9.834
0.001
90
null
91.087
0.009
90
null
1,127.7
0.2
298
null
23
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
14
- C12 H10 F3 N O2 -
- C12 H10 F3 N O2 -
- C48 H40 F12 N4 O8 -
4
1
CD1035
Jasinski, Jerry P.; Paight, Ernest S.
7-Dimethylamino-4-trifluoromethylcoumarin, a new polymeric form
Acta Crystallographica Section C
1,994
50
12
1928
1930
10.1107/S0108270194003616
0.7107
MoKα
null
0.0445
null
null
0.0654
null
null
null
null
2.888
2.888
null
null
null
has coordinates
Jasinski, Jerry P.; Paight, Ernest S. 7-Dimethylamino-4-trifluoromethylcoumarin, a new polymeric form Acta Crystallographica Section C 50(12) (1994) 1928-1930
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010262.cif $ #-------------------------------------------------------------------...
2,010,263
7.734
0.004
5.729
0.003
8.933
0.005
90
null
106.72
0.04
90
null
379.1
0.4
173
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C8 H6 S2 -
- C8 H6 S2 -
- C16 H12 S4 -
2
0.5
CD1056
Pelletier, M.; Brisse, F.
Bithiophene at 133 K
Acta Crystallographica Section C
1,994
50
12
1942
1945
10.1107/S010827019301011X
0.710688
MoKᾱ
null
0.046
null
null
0.064
null
null
null
null
3.147
3.147
null
null
null
has coordinates
Pelletier, M.; Brisse, F. Bithiophene at 133 K Acta Crystallographica Section C 50(12) (1994) 1942-1945
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010263.cif $ #-------------------------------------------------------------------...
2,010,264
6.5687
0.0007
12.802
0.002
20.219
0.002
90
null
97.26
0.01
90
null
1,686.6
0.4
293
null
293
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
Bis(methylethylenedithio)tetrathiafulvalene
- C12 H12 S8 -
- C13 H18 S8 -
- C52 H72 S32 -
4
1
CR1087
Swaminathan, K.; Carroll, Patrick J.; Singh, Jai D.; Singh, Harkesh B.
Bis(methylethylenedithio)tetrathiafulvalene
Acta Crystallographica Section C
1,994
50
12
1958
1960
10.1107/S0108270194004142
1.5418
CopperKα
null
0.0738
null
null
null
null
null
null
null
1.5576
1.5576
null
null
null
has coordinates
Swaminathan, K.; Carroll, Patrick J.; Singh, Jai D.; Singh, Harkesh B. Bis(methylethylenedithio)tetrathiafulvalene Acta Crystallographica Section C 50(12) (1994) 1958-1960
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010264.cif $ #-------------------------------------------------------------------...
2,010,265
10.994
0.002
19.464
0.004
13.417
0.001
90
null
109.4
0.01
90
null
2,708.1
0.8
220
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C28 H32 O4 S3 -
- C37 H48 O5 S3 -
- C148 H192 O20 S12 -
4
1
CR1100
Pang, L.; Brisse, F.
Tris(5-acetyl-3-thienyl)methane‒cyclononanone (1/1) inclusion compound
Acta Crystallographica Section C
1,994
50
12
1947
1950
10.1107/S0108270194002489
1.54056
CuKα
null
0.055
null
null
0.059
null
null
null
null
2.44
2.44
null
null
null
has coordinates
Pang, L.; Brisse, F. Tris(5-acetyl-3-thienyl)methane‒cyclononanone (1/1) inclusion compound Acta Crystallographica Section C 50(12) (1994) 1947-1950
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010265.cif $ #-------------------------------------------------------------------...
2,010,266
11.828
0.002
10.284
0.002
11.79
0.002
90
null
118.3
0.3
90
null
1,263
4
297
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C14 H20 O2 -
- C14 H20 O2 -
- C56 H80 O8 -
4
1
CR1103
Díaz, E.; Fuentes Benitez, A.F.; Villafranca, E.V.; Jankowski, C.K.
3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2(5<i>H</i>)-furanone
Acta Crystallographica Section C
1,994
50
12
2030
2032
10.1107/S0108270194003501
1.5418
CuKα
null
0.081
null
null
0.081
null
null
null
null
1.14
1.14
null
null
null
has coordinates
Díaz, E.; Fuentes Benitez, A.F.; Villafranca, E.V.; Jankowski, C.K. 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2(5<i>H</i>)-furanone Acta Crystallographica Section C 50(12) (1994) 2030-2032
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010266.cif $ #-------------------------------------------------------------------...
2,010,267
10.292
0.002
11.219
0.001
12.481
0.002
90
null
100.38
0.02
90
null
1,417.5
0.4
295
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C11 H12 N4 O8 -
- C11 H12 N4 O8 -
- C44 H48 N16 O32 -
4
1
CR1106
Sommerer, S.O.; Westcott, B.L.; Friebe, T.L.; Abboud, K.A.
Di(2-pyridinio)methanediol dinitrate
Acta Crystallographica Section C
1,994
50
12
2013
2015
10.1107/S0108270194004488
0.71073
MoKα
null
0.0481
null
null
0.0617
null
null
null
null
2.03
2.03
null
null
null
has coordinates
Sommerer, S.O.; Westcott, B.L.; Friebe, T.L.; Abboud, K.A. Di(2-pyridinio)methanediol dinitrate Acta Crystallographica Section C 50(12) (1994) 2013-2015
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010267.cif $ #-------------------------------------------------------------------...
2,010,268
11.341
0.004
15.692
0.006
8.479
0.003
90
null
90
null
90
null
1,508.9
0.9
295
null
null
null
null
null
null
null
5
P n a 21
P 2c -2n
33
- C14 H22 Br N O3 -
- C14 H22 Br N O3 -
- C56 H88 Br4 N4 O12 -
4
1
CR1117
Garcia, J.G.; Fronzek, F.R.; Gandour, R.D.
Two dimethylmorpholinium bromides
Acta Crystallographica Section C
1,994
50
12
2022
2025
10.1107/S0108270194004518
0.71073
MoKα
null
0.0464
null
null
0.0468
null
null
null
null
2.176
2.176
null
null
null
has coordinates
Garcia, J.G.; Fronzek, F.R.; Gandour, R.D. Two dimethylmorpholinium bromides Acta Crystallographica Section C 50(12) (1994) 2022-2025
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010268.cif $ #-------------------------------------------------------------------...
2,010,269
8.451
0.003
13.535
0.002
12.915
0.002
90
null
93.38
0.02
90
null
1,474.7
0.6
298
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C13 H22 Br N O3 -
- C13 H22 Br N O3 -
- C52 H88 Br4 N4 O12 -
4
1
CR1117
Garcia, J.G.; Fronzek, F.R.; Gandour, R.D.
Two dimethylmorpholinium bromides
Acta Crystallographica Section C
1,994
50
12
2022
2025
10.1107/S0108270194004518
0.71073
MoKα
null
0.044
null
null
0.033
null
null
null
null
1.388
1.388
null
null
null
has coordinates
Garcia, J.G.; Fronzek, F.R.; Gandour, R.D. Two dimethylmorpholinium bromides Acta Crystallographica Section C 50(12) (1994) 2022-2025
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010269.cif $ #-------------------------------------------------------------------...
2,010,270
9.477
0.002
21.712
0.004
12.683
0.003
90
null
94.43
0.03
90
null
2,601.9
1
293
2
293
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
tetra(phenyl trimethylammonium) decabromohexacuprate(I)
- C18 H28 Br5 Cu3 N2 -
- C18 H28 Br5 Cu3 N2 -
- C72 H112 Br20 Cu12 N8 -
4
1
CR1121
Hu, Guozhi; Holt, Elizabeth M.
Tetrakis(trimethylphenylammonium)octa-μ-bromo-dibromohexacuprate(I)
Acta Crystallographica Section C
1,994
50
12
1890
1892
10.1107/S0108270194008450
0.71073
MoKα
0.1469
0.0582
null
0.168
0.1335
null
null
null
0.736
0.939
0.939
null
null
null
has coordinates,has disorder
Hu, Guozhi; Holt, Elizabeth M. Tetrakis(trimethylphenylammonium)octa-μ-bromo-dibromohexacuprate(I) Acta Crystallographica Section C 50(12) (1994) 1890-1892
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010270.cif $ #-------------------------------------------------------------------...
2,010,271
19.132
0.002
6.717
0.001
3.891
0.002
90
null
90
null
90
null
500
0.3
296
null
296
null
null
null
null
null
4
P n a 21
P 2c -2n
33
1-methylurazole
1-methyl-1,2,4-triazolidine-3,5-dione
- C3 H5 N3 O2 -
- C3 H5 N3 O2 -
- C12 H20 N12 O8 -
4
1
CR1122
Meyers, Cal Y.; Lutfi, Hisham G.; Kolb, Vera M.; Robinson, Paul D.
Racemic 1-methyl-1,2,4-triazolidine-3,5-dione (1-methylurazole). Definitive characterization of pyramidal hydrazide N atoms and racemate intermolecular hydrogen bonding
Acta Crystallographica Section C
1,994
50
12
1925
1928
10.1107/S010827019400449X
0.71069
MoKα
null
0.026
null
null
0.032
null
null
null
null
1.47
1.47
null
null
null
has coordinates
Meyers, Cal Y.; Lutfi, Hisham G.; Kolb, Vera M.; Robinson, Paul D. Racemic 1-methyl-1,2,4-triazolidine-3,5-dione (1-methylurazole). Definitive characterization of pyramidal hydrazide N atoms and racemate intermolecular hydrogen bonding Acta Crystallographica Section C 50(12) (1994) 1925-1928
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010271.cif $ #-------------------------------------------------------------------...
2,010,272
18.316
0.001
8.27
0.001
7.438
0.001
90
null
92.358
0.003
90
null
1,125.7
0.2
298
null
298
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
2,6-bis(dimethylamino)-3,5-diformylpyridine
- C11 H15 N3 O2 -
- C11 H15 N3 O2 -
- C44 H60 N12 O8 -
4
0.5
CR1129
Lai, Long-Li; Liu, Ling-Kang; Shiao, Ming-Jen; Wen, Yuh-Sheng
2,6-Bis(dimethylamino)-3,5-pyridine-dicarbaldehyde
Acta Crystallographica Section C
1,994
50
12
1931
1933
10.1107/S0108270194005652
0.7093
MoKα
0.042
0.033
null
0.042
0.041
null
null
null
null
2.28
2.28
null
null
null
has coordinates
Lai, Long-Li; Liu, Ling-Kang; Shiao, Ming-Jen; Wen, Yuh-Sheng 2,6-Bis(dimethylamino)-3,5-pyridine-dicarbaldehyde Acta Crystallographica Section C 50(12) (1994) 1931-1933
208,362
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-14 06:45:12 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208362 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010272.cif $ #-------------------------------------------------------------------...
2,010,273
12.947
0.001
7.385
0.001
17.817
0.001
90
null
95.965
0.008
90
null
1,694.3
0.3
296.2
null
296.2
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C20 H30 O3 -
- C20 H30 O3 -
- C80 H120 O12 -
4
1
CR1137
M. Gary Newton; Richard K. Hill
A C~20~ 2:3 formaldehyde–cyclohexanone adduct
Acta Crystallographica Section C
1,994
50
12
1969
1971
10.1107/S0108270194005743
1.5418
CuKα
null
0.048
null
null
0.056
null
null
null
null
4.16
4.16
null
null
null
has coordinates
M. Gary Newton; Richard K. Hill A C~20~ 2:3 formaldehyde–cyclohexanone adduct Acta Crystallographica Section C 50(12) (1994) 1969-1971
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010273.cif $ #-------------------------------------------------------------------...
2,010,274
12.572
0.003
14.442
0.003
7.916
0.001
90
null
94.46
0.01
90
null
1,432.9
0.5
223
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
3,5'-diallyl-2',4-dihydroxybiphenyl
- C18 H18 O2 -
- C18 H18 O2 -
- C72 H72 O8 -
4
1
CR1143
Michael J. Fullmer; R. Curtis Haltiwanger; Nelson Troupe; Drake S. Eggleston
Honokiol
Acta Crystallographica Section C
1,994
50
12
1966
1967
10.1107/S0108270194005664
0.71073
MoKα
null
0.041
null
null
0.049
null
null
null
null
1.531
1.531
null
null
null
has coordinates
Michael J. Fullmer; R. Curtis Haltiwanger; Nelson Troupe; Drake S. Eggleston Honokiol Acta Crystallographica Section C 50(12) (1994) 1966-1967
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010274.cif $ #-------------------------------------------------------------------...
2,010,275
11.288
0.007
11.288
0.007
8.013
0.002
90
null
90
null
120
null
884.2
0.8
298
null
null
null
null
null
null
null
4
P 63 m c
P 6c -2c
186
- Cl In K6 Te4 -
- Cl In K6 Te4 -
- Cl2 In2 K12 Te8 -
2
0.166667
DU1081
Sportouch, S.; Belin, C.; Tillard-Charbonnel, M.
K~5~InTe~4~.KCl
Acta Crystallographica Section C
1,994
50
12
1861
1862
10.1107/S0108270194006141
0.7107
MoKα
null
0.0181
null
null
0.0227
null
null
null
null
0.912
0.912
null
null
null
has coordinates
Sportouch, S.; Belin, C.; Tillard-Charbonnel, M. K~5~InTe~4~.KCl Acta Crystallographica Section C 50(12) (1994) 1861-1862
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010275.cif $ #-------------------------------------------------------------------...
2,010,276
9.973
0.002
10.18
0.002
10.012
0.001
90
null
97.7
0.01
90
null
1,007.2
0.5
274
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- Mo2 O11 P2 Rb2 -
- Mo2 O11 P2 Rb2.5 -
- Mo8 O44 P8 Rb10 -
4
1
Guesdon, A.; Leclaire, A.; Borel, M.M.; Grandin, A.; Raveau, B.
An Mo^V^ Monophosphate, Rb~2~Mo~2~P~2~O~11~
Acta Crystallographica Section C
1,994
50
1852
1854
null
null
0.041
null
null
0.046
null
null
null
null
null
null
null
1,001,613
null
has coordinates
Guesdon, A.; Leclaire, A.; Borel, M.M.; Grandin, A.; Raveau, B. An Mo^V^ Monophosphate, Rb~2~Mo~2~P~2~O~11~ Acta Crystallographica Section C 50 (1994) 1852-1854
287,519
2023-11-10
19:29:21
#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010276.cif $ #-------------------------------------------------------------------...
2,010,277
5.9478
0.0005
6.7797
0.0003
24.3482
0.0011
90
null
90
null
90
null
981.82
0.1
293
null
293
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
Trans-1-methyl-3-amino-4-phenyl-2-azetidinone
- C10 H12 N2 O -
- C10 H12 N2 O -
- C40 H48 N8 O4 -
4
1
FG1021
Spek, Anthony L.; Steen, Fred H. van der; Jastrzebski, Johann T.B.H.; Koten, Gerard van
<i>trans</i>-3-Amino-1-methyl-4-phenyl-2-azetidinone, C~10~H~12~N~2~O
Acta Crystallographica Section C
1,994
50
12
1933
1935
10.1107/S0108270194007675
0.71073
MoKα
null
0.0391
null
0.0971
0.0971
null
null
null
1.03
1.03
1.03
null
null
null
has coordinates
Spek, Anthony L.; Steen, Fred H. van der; Jastrzebski, Johann T.B.H.; Koten, Gerard van <i>trans</i>-3-Amino-1-methyl-4-phenyl-2-azetidinone, C~10~H~12~N~2~O Acta Crystallographica Section C 50(12) (1994) 1933-1935
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010277.cif $ #-------------------------------------------------------------------...
2,010,278
9.108
0.001
11.405
0.002
17.482
0.002
90
null
102.8
0.1
90
null
1,770.8
0.8
293
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C21 H23 N O2 -
- C21 H23 N O2 -
- C84 H92 N4 O8 -
4
1
HA1062
Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Ramakrishanan, V.T.
9-Methyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione
Acta Crystallographica Section C
1,994
50
12
2011
2013
10.1107/S0108270194002805
1.5418
CuKα
null
0.066
null
null
0.069
null
null
null
null
1.105
1.105
null
null
null
has coordinates
Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Ramakrishanan, V.T. 9-Methyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione Acta Crystallographica Section C 50(12) (1994) 2011-2013
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010278.cif $ #-------------------------------------------------------------------...
2,010,279
9.72
0.001
9.945
0.001
12.172
0.003
84.53
0.01
84.97
0.02
83.49
0.01
1,160.2
0.3
298
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C22 H38 N4 O -
- C22 H38 N4 O -
- C44 H76 N8 O2 -
2
1
HA1065
Shanmuga Sundara Raj, S.; Velmurugan, D.; Subramanian, E.; Kandaswamy, M.
4-<i>tert</i>-Butyl-2,6-bis[(4-methyl-1-piperazinyl)methyl]phenol
Acta Crystallographica Section C
1,994
50
12
2007
2009
10.1107/S010827019400034X
1.5418
CuKα
null
0.061
null
null
0.071
null
null
null
null
0.53
0.53
null
null
null
has coordinates
Shanmuga Sundara Raj, S.; Velmurugan, D.; Subramanian, E.; Kandaswamy, M. 4-<i>tert</i>-Butyl-2,6-bis[(4-methyl-1-piperazinyl)methyl]phenol Acta Crystallographica Section C 50(12) (1994) 2007-2009
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010279.cif $ #-------------------------------------------------------------------...
2,010,280
10.798
0.002
10.771
0.003
14.235
0.004
90
null
94.65
0.02
90
null
1,650.2
0.7
295
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C16 H23 Cl N2 O3 -
- C16 H23 Cl N2 O3 -
- C64 H92 Cl4 N8 O12 -
4
1
HA1066
Shanmuga Sundara Raj, S.; Velmurugan, D.; Subramanian, E.; Kandaswamy, M.
4-Chloro-2,6-bis(morpholinomethyl)phenol
Acta Crystallographica Section C
1,994
50
12
2009
2010
10.1107/S0108270194000351
1.5418
CuKα
null
0.052
null
null
0.076
null
null
null
null
0.73
0.73
null
null
null
has coordinates
Shanmuga Sundara Raj, S.; Velmurugan, D.; Subramanian, E.; Kandaswamy, M. 4-Chloro-2,6-bis(morpholinomethyl)phenol Acta Crystallographica Section C 50(12) (1994) 2009-2010
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010280.cif $ #-------------------------------------------------------------------...
2,010,281
7.873
0.003
5.771
0.002
8.813
0.002
90
null
107.07
0.02
90
null
382.8
0.2
173
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
- C8 H6 S2 -
- C8 H6 S2 -
- C16 H12 S4 -
2
0.5
HA1074
Chaloner, P. A.; Gunatunga, S. R.; Hitchcock, P. B.
Redetermination of 2,2'-bithiophene
Acta Crystallographica Section C
1,994
50
12
1941
1942
10.1107/S0108270194001149
0.71069
MoKα
null
0.056
null
null
0.072
null
null
null
null
2.8
2.8
null
null
null
has coordinates
Chaloner, P. A.; Gunatunga, S. R.; Hitchcock, P. B. Redetermination of 2,2'-bithiophene Acta Crystallographica Section C 50(12) (1994) 1941-1942
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010281.cif $ #-------------------------------------------------------------------...
2,010,282
12.614
0.004
10.581
0.004
12.927
0.004
90
null
95.62
0.02
90
null
1,717.1
1
293
2
293
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C21 H18 O3 S -
- C21 H18 O3 S -
- C84 H72 O12 S4 -
4
1
HA1085
Hellier, D. G.; Motevalli, M.
3,3,5-Triphenyl-1,2-oxathiolane 2,2-dioxide
Acta Crystallographica Section C
1,994
50
12
1968
1969
10.1107/S0108270193013241
0.71069
MoKα
0.0814
0.0528
null
0.1566
0.1459
null
null
null
1.019
1.179
1.179
null
null
null
has coordinates
Hellier, D. G.; Motevalli, M. 3,3,5-Triphenyl-1,2-oxathiolane 2,2-dioxide Acta Crystallographica Section C 50(12) (1994) 1968-1969
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010282.cif $ #-------------------------------------------------------------------...
2,010,283
7.924
0.004
9.211
0.003
11.188
0.004
77.36
0.03
85.04
0.03
64.43
0.03
718.7
0.5
291
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C14 H11 Cl N4 O2 S -
- C14 H11 Cl N4 O2 S -
- C28 H22 Cl2 N8 O4 S2 -
2
1
HA1087
Liu, M.; Ruble, J.R.; Arora, S.K.
Anticancer agent chloroquinoxaline sulfonamide
Acta Crystallographica Section C
1,994
50
12
2032
2033
10.1107/S0108270194003331
0.71073
MoKα
null
0.057
null
null
0.057
null
null
null
null
1.56
1.56
null
null
null
has coordinates
Liu, M.; Ruble, J.R.; Arora, S.K. Anticancer agent chloroquinoxaline sulfonamide Acta Crystallographica Section C 50(12) (1994) 2032-2033
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010283.cif $ #-------------------------------------------------------------------...
2,010,284
12.2411
0.0015
8.0563
0.0009
15.354
0.002
90
null
98.997
0.013
90
null
1,495.6
0.3
293
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C15 H17 N O2 S2 -
- C15 H17 N O2 S2 -
- C60 H68 N4 O8 S8 -
4
1
HA1092
Muskett, F.W.; Sawyer, L.; Taylor, P.; Dawson, I.M.; Blake, A.J.
9-(1,3-Dithian-2-yl)-10-oxa-1-azatricyclo[7.4.0.0^3,8^]trideca-3,5,7-trien-2-one
Acta Crystallographica Section C
1,994
50
12
2003
2004
10.1107/S0108270194003343
0.71073
MoKα
null
0.035
null
null
0.0498
null
null
null
null
1.303
1.303
null
null
null
has coordinates
Muskett, F.W.; Sawyer, L.; Taylor, P.; Dawson, I.M.; Blake, A.J. 9-(1,3-Dithian-2-yl)-10-oxa-1-azatricyclo[7.4.0.0^3,8^]trideca-3,5,7-trien-2-one Acta Crystallographica Section C 50(12) (1994) 2003-2004
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010284.cif $ #-------------------------------------------------------------------...
2,010,285
7.17
0.004
8.057
0.002
14.953
0.014
84.87
0.04
89.04
0.06
69.85
0.04
807.6
0.9
200
null
null
null
null
null
null
null
4
P 1
P 1
1
- C36 H40 N4 O6 -
- C36 H40 N4 O6 -
- C36 H40 N4 O6 -
1
1
HA1097
Barkigia, K.M.; Gottfried, D.S.
A new crystal form of methyl bacteriopheophorbide <i>a</i>
Acta Crystallographica Section C
1,994
50
12
2069
2072
10.1107/S0108270194004786
1.5418
CuKα
null
0.076
null
null
0.092
null
null
null
null
1.85
1.85
null
null
null
has coordinates
Barkigia, K.M.; Gottfried, D.S. A new crystal form of methyl bacteriopheophorbide <i>a</i> Acta Crystallographica Section C 50(12) (1994) 2069-2072
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010285.cif $ #-------------------------------------------------------------------...
2,010,286
7.49
0.002
21.689
0.003
11.17
0.006
90
null
90
null
90
null
1,814.6
1.1
293
null
null
null
null
null
null
null
4
P b c a
-P 2ac 2ab
61
- C9 H6 O S2 -
- C9 H6 O S2 -
- C72 H48 O8 S16 -
8
1
HA1104
Armes, S.P.; Chaloner, P.A.; Hitchcock, P.B.; Simmons, M.R.
2,2'-Bithiophene-5-carbaldehyde
Acta Crystallographica Section C
1,994
50
12
1945
1947
10.1107/S0108270194004798
0.71069
MoKα
null
0.065
null
null
0.066
null
null
null
null
1.6
1.6
null
null
null
has coordinates
Armes, S.P.; Chaloner, P.A.; Hitchcock, P.B.; Simmons, M.R. 2,2'-Bithiophene-5-carbaldehyde Acta Crystallographica Section C 50(12) (1994) 1945-1947
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010286.cif $ #-------------------------------------------------------------------...