Datasets:
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117a218 | 1 2 3 4 5 6 | compound,formula,name,formula_mass_g_mol,temperature_K,wavelength_A,crystal_system,space_group,a_A,b_A,c_A,alpha_deg,beta_deg,gamma_deg,volume_A3,Z,density_Mg_m3,F000,crystal_size_mm,theta_range_deg,reflections_collected,independent_reflections,parameters,Rint,R1,wR2,S,max_residual_eA3,min_residual_eA3
1,C19H13BF2N2O,"6,6-difluoro-12-phenyl-6,12-dihydro-7λ5,6λ5-[3,1]benzimidazo[1,2-c][1,3,2]benzoxazaborinine",334.12,293,0.71073,Monoclinic,P21/c,10.0375,16.0774,10.9865,90,116.651,90,1584.6,4,1.401,688,"0.5x0.3x0.1","6.8-52.74",13024,2685,226,0.0231,0.0921,0.2793,1.073,0.69,-0.24
2,C21H17BF2N2O2,"4-ethoxy-6,6-difluoro-12-phenyl-6,12-dihydro-7λ5,6λ5-benzimidazo[1,2-c][1,3,2]benzoxazaborinine",378.18,293,0.71073,Monoclinic,P21/n,13.7898,9.5603,13.8293,90,93.074,90,1820.55,4,1.38,784,"0.3x0.2x0.1","7.28-52.74",7873,3701,254,0.0189,0.0462,0.1067,1.052,0.16,-0.17
3,C20H15BF2N2O,"6,6-difluoro-2-methyl-12-phenyl-6,12-dihydro-7λ5,6λ5-benzimidazo[1,2-c][1,3,2]benzoxazaborinine",348.15,293,0.71073,Triclinic,P-1,9.5973,9.7223,9.8074,109.663,93.247,98.156,847.66,1,1.364,360,"0.4x0.2x0.1","6.76-58.7",6653,3451,236,0.0167,0.049,0.1167,1.075,0.16,-0.15
4,C15H13BF2N2O2,"4-ethoxy-6,6-difluoro-6,12-dihydro-7λ5,6λ5-[3,1]benzimidazo[1,2-c][1,3,2]benzoxazaborinine",302.1,293,0.71073,Orthorhombic,Pnma,17.052,6.866,14.987,90,90,90,1754.7,4,1.143,624.4,"0.2x0.1x0.1","7.24-52.74",10777,1944,131,0.0235,0.0607,0.1668,1.026,0.3,-0.21
5,C14H11BF2N2O,"6,6-difluoro-2-methyl-6,12-dihydro-7λ5,6λ5-[3,1]benzimidazo[1,2-c][1,3,2]benzoxazaborinine",217.65,293,0.71073,Monoclinic,P21/c,7.153,21.9924,7.8576,90,99.523,90,1219.06,4,1.482,560,"0.2x0.2x0.1","6.86-58.66",5563,2760,182,0.0239,0.072,0.2015,1.024,0.67,-0.22 |