Information card for entry 2201902

Structure parameters

• Chemical name: 4-(4-Chlorophenyl)-1,3-diphenyl-7-oxa-1,2-diazaspiro[4.4]non-2-en-6-one
• Formula: C24 H19 Cl N2 O2
• Calculated formula: C24 H19 Cl N2 O2
• SMILES: Clc1ccc([C@H]2[C@@]3(N(N=C2c2ccccc2)c2ccccc2)C(=O)OCC3)cc1.Clc1ccc([C@@H]2[C@]3(N(N=C2c2ccccc2)c2ccccc2)C(=O)OCC3)cc1
• Title of publication: 4-(4-Chlorophenyl)-1,3-diphenyl-7-oxa-1,2-diazaspiro[4.4]non-2-en-6-one
• Authors of publication: Li, Xiao-Fang; Feng, Ya-Qing; Hu, Xiao-Fen; Xu, Mian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o794 - o796
• a: 16.013 ± 0.006 Å
• b: 15.627 ± 0.006 Å
• c: 16.317 ± 0.006 Å
• α: 90°
• β: 102.325 ± 0.007°
• γ: 90°
• Cell volume: 3989 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes