Information card for entry 2202283

Structure parameters

• Chemical name: 3,10-Bis(2,6-dichlorophenyl)-4,11-diphenyl-1,8-dioxa-2,9- diazadispiro[4.1.4.2]trideca-2,9-dien-6-one
• Formula: C33 H22 Cl4 N2 O3
• Calculated formula: C33 H22 Cl4 N2 O3
• SMILES: Clc1c(C2=NO[C@]3(C(=O)[C@]4(ON=C([C@@H]4c4ccccc4)c4c(Cl)cccc4Cl)CC3)[C@H]2c2ccccc2)c(Cl)ccc1.Clc1c(C2=NO[C@@]3(C(=O)[C@@]4(ON=C([C@H]4c4ccccc4)c4c(Cl)cccc4Cl)CC3)[C@@H]2c2ccccc2)c(Cl)ccc1
• Title of publication: 3,10-Bis(2,6-dichlorophenyl)-4,11-diphenyl-1,8-dioxa-2,9-diazadispiro[4.1.4.2]trideca-2,9-dien-6-one
• Authors of publication: Li, Xiao-Fang; Feng, Ya-Qing; Gao, Bo; Li, Nan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1640 - o1641
• a: 14.464 ± 0.003 Å
• b: 13.377 ± 0.003 Å
• c: 17.08 ± 0.004 Å
• α: 90°
• β: 114.954 ± 0.004°
• γ: 90°
• Cell volume: 2996.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes