Information card for entry 2201940

Structure parameters

• Chemical name: 4,11-Bis(4-chlorophenyl)-3,10-bis(2,6-dichlorophenyl)-1,8-dioxa-2,9- diazadispiro[4.1.4.4]pentadeca-2,9-dien-6-one
• Formula: C35 H24 Cl6 N2 O3
• Calculated formula: C35 H24 Cl6 N2 O3
• SMILES: Clc1c(C2=NO[C@@]3(C(=O)[C@]4(ON=C([C@@H]4c4ccc(Cl)cc4)c4c(Cl)cccc4Cl)CCCC3)[C@@H]2c2ccc(Cl)cc2)c(Cl)ccc1
• Title of publication: 4,11-Bis(4-chlorophenyl)-3,10-bis(2,6-dichlorophenyl)-1,8-dioxa-2,9-diazadispiro[4.1.4.4]pentadeca-2,9-dien-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: 5
• Pages of publication: o716 - o717
• a: 33.51 ± 0.009 Å
• b: 12.419 ± 0.005 Å
• c: 32.946 ± 0.009 Å
• α: 90°
• β: 95.152 ± 0.008°
• γ: 90°
• Cell volume: 13655 ± 8 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: 0.189
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes