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Information card for entry 2207067
Preview
Coordinates | 2207067.cif |
---|---|
Structure factors | 2207067.hkl |
Original IUCr paper | HTML |
Chemical name | 1'-Phenyl-2',3',5',6',7',7a'-hexahydroindan-2-spiro-2'-1H-pyrrolizidine-3'- spiro-11'-indeno[1,2-b]quinoxaline-1,3-dione |
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Formula | C35 H25 N3 O2 |
Calculated formula | C35 H25 N3 O2 |
SMILES | [C@@]12(C3([C@H]([C@@H]4CCCN24)c2ccccc2)C(=O)c2ccccc2C3=O)c2ccccc2c2c1nc1c(cccc1)n2.[C@]12(C3([C@@H]([C@H]4CCCN24)c2ccccc2)C(=O)c2ccccc2C3=O)c2ccccc2c2c1nc1c(cccc1)n2 |
Title of publication | 1'-Phenyl-2',3',5',6',7',7a'-hexahydroindan-2-spiro-2'-1<i>H</i>-pyrrolizine-3'-spiro-11'-indeno[1,2-<i>b</i>]quinoxaline-1,3-dione |
Authors of publication | D. Gayathri; P. G. Aravindan; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 10 |
Pages of publication | o3124 - o3126 |
a | 11.1149 ± 0.0014 Å |
b | 12.467 ± 0.0016 Å |
c | 18.646 ± 0.002 Å |
α | 90° |
β | 99.415 ± 0.002° |
γ | 90° |
Cell volume | 2549 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0586 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1193 |
Weighted residual factors for all reflections included in the refinement | 0.1279 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/2207067.html
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Users of the data should acknowledge the original authors of the
structural data.