Information card for entry 2203027

Structure parameters

• Chemical name: 13-Benzyl-4,11-bis-(4-chlorophenyl)-3,10-bis(2,6-dichlorophenyl)-1,8-dioxa- 2,9,13-triazadispiro[4.1.4.3]tetradeca-2,9-dien-6-one chloroform solvate
• Formula: C41 H28 Cl9 N3 O3
• Calculated formula: C41 H28 Cl9 N3 O3
• SMILES: Clc1ccc(cc1)[C@@H]1C(=NO[C@@]21CN(Cc1ccccc1)C[C@@]1(C2=O)ON=C([C@H]1c1ccc(cc1)Cl)c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl.ClC(Cl)Cl.Clc1ccc(cc1)[C@H]1C(=NO[C@]21CN(Cc1ccccc1)C[C@]1(C2=O)ON=C([C@@H]1c1ccc(cc1)Cl)c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl.ClC(Cl)Cl
• Title of publication: 13-Benzyl-4,11-bis-(4-chlorophenyl)-3,10-bis(2,6-dichlorophenyl)-1,8-dioxa-2,9,13-triazadispiro[4.1.4.3]tetradeca-2,9-dien-6-one chloroform solvate
• 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: o1814 - o1816
• a: 11.948 ± 0.004 Å
• b: 12.066 ± 0.004 Å
• c: 15.674 ± 0.005 Å
• α: 97.542 ± 0.005°
• β: 92.617 ± 0.005°
• γ: 111 ± 0.005°
• Cell volume: 2080.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes