Information card for entry 2201945

Structure parameters

• Chemical name: 13-Benzyl-3,10-bis-(2,6-dichloro-phenyl)-4,11-diphenyl -1,8-dioxa-2,9,13-triaza-dispiro[4.1.4.3] tetradeca-2,9-dien-6-one
• Formula: C41 H30 Cl7 N3 O3
• Calculated formula: C41 H30 Cl7 N3 O3
• SMILES: Clc1cccc(c1C1=NO[C@]2([C@H]1c1ccccc1)CN(Cc1ccccc1)C[C@]1(C2=O)ON=C([C@@H]1c1ccccc1)c1c(Cl)cccc1Cl)Cl.ClC(Cl)Cl.Clc1cccc(c1C1=NO[C@@]2([C@@H]1c1ccccc1)CN(Cc1ccccc1)C[C@@]1(C2=O)ON=C([C@H]1c1ccccc1)c1c(Cl)cccc1Cl)Cl.ClC(Cl)Cl
• Title of publication: 13-Benzyl-3,10-bis(2,6-dichlorophenyl)-4,11-diphenyl-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; 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: o797 - o798
• a: 11.905 ± 0.018 Å
• b: 12.046 ± 0.017 Å
• c: 15.17 ± 0.02 Å
• α: 87.89 ± 0.03°
• β: 81.2 ± 0.03°
• γ: 70.2 ± 0.03°
• Cell volume: 2023 ± 5 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: 0.1493
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No