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Information card for entry 2203379
Preview
Coordinates | 2203379.cif |
---|---|
Structure factors | 2203379.hkl |
Original IUCr paper | HTML |
Chemical name | 5,7-Dibromo-1'-methyl-2'-(4-methoxybenzoyl)-1H-indole-3-spiro-2'-pyrrolidine- 3'-spiro-3''-1H-indole-2,2''(3H,3''H)-dione methanol solvate |
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Formula | C28 H25 Br2 N3 O5 |
Calculated formula | C28 H25 Br2 N3 O5 |
SMILES | Brc1cc2[C@@]3(C(=O)Nc2c(Br)c1)[C@]1([C@@H](CN3C)C(=O)c2ccc(OC)cc2)C(=O)Nc2ccccc12.CO.Brc1cc2[C@]3(C(=O)Nc2c(Br)c1)[C@@]1([C@H](CN3C)C(=O)c2ccc(OC)cc2)C(=O)Nc2ccccc12.CO |
Title of publication | 5,7-Dibromo-1'-methyl-2'-(4-methoxybenzoyl)-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 | 4 |
Pages of publication | o550 - o552 |
a | 23.285 ± 0.002 Å |
b | 7.8966 ± 0.0007 Å |
c | 15.1669 ± 0.0014 Å |
α | 90° |
β | 96.979 ± 0.002° |
γ | 90° |
Cell volume | 2768.1 ± 0.4 Å3 |
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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0924 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.12 |
Weighted residual factors for all reflections included in the refinement | 0.1412 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2203379.html
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