Information card for entry 2203547

Structure parameters

• Chemical name: 5,7-Dibromo-4'-(4-bromobenzoyl)-1'-methyl-1H-indole-3-spiro-2'-pyrrolidine- 3'-spiro-3''-1H-indole-2,2''(3H,3''H)-dione methanol solvate
• Formula: C27 H22 Br3 N3 O4
• Calculated formula: C27 H22 Br3 N3 O4
• SMILES: Brc1cc2[C@@]3(C(=O)Nc2c(Br)c1)[C@]1([C@@H](CN3C)C(=O)c2ccc(Br)cc2)C(=O)Nc2ccccc12.OC.Brc1cc2[C@]3(C(=O)Nc2c(Br)c1)[C@@]1([C@H](CN3C)C(=O)c2ccc(Br)cc2)C(=O)Nc2ccccc12.OC
• Title of publication: 5,7-Dibromo-4'-(4-bromobenzoyl)-1'-methyl-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-3''-1<i>H</i>-indole-2,2''(3<i>H</i>,3''<i>H</i>)-dione methanol solvate
• Authors of publication: P. R. Seshadri; S. Selvanayagam; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o870 - o872
• a: 46.242 ± 0.004 Å
• b: 7.7993 ± 0.0006 Å
• c: 15.3204 ± 0.0012 Å
• α: 90°
• β: 98.958 ± 0.002°
• γ: 90°
• Cell volume: 5458 ± 0.8 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: 0.113
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes