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Information card for entry 2203083
Preview
Coordinates | 2203083.cif |
---|---|
Structure factors | 2203083.hkl |
Original IUCr paper | HTML |
Chemical name | 1-Benzoyl-acenaphthylene-1-spiro-3'-pyrrolizidine-2'-spiro-3''- 1H-indole-2,2''(1H,3''H)-dione |
---|---|
Formula | C32 H23 Cl N2 O3 |
Calculated formula | C32 H23 Cl N2 O3 |
SMILES | Clc1ccc(C(=O)[C@H]2[C@@]3([C@]4(N5[C@@H]2CCC5)c2cccc5cccc(c25)C4=O)C(=O)Nc2ccccc32)cc1.Clc1ccc(C(=O)[C@@H]2[C@]3([C@@]4(N5[C@H]2CCC5)c2cccc5cccc(c25)C4=O)C(=O)Nc2ccccc32)cc1 |
Title of publication | 1-Benzoylacenaphthylene-1-spiro-3'-pyrrolizidine-2'-spiro-3''-1<i>H</i>-indole-2,2''(1<i>H</i>,3''<i>H</i>)-dione |
Authors of publication | M. M. Govind; 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 | 1 |
Pages of publication | o57 - o59 |
a | 11.5085 ± 0.0009 Å |
b | 9.5986 ± 0.0008 Å |
c | 23.0306 ± 0.0018 Å |
α | 90° |
β | 91.232 ± 0.001° |
γ | 90° |
Cell volume | 2543.5 ± 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0679 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.1451 |
Weighted residual factors for all reflections included in the refinement | 0.1599 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2203083.html
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Users of the data should acknowledge the original authors of the
structural data.