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Information card for entry 2219288
Preview
Coordinates | 2219288.cif |
---|---|
Structure factors | 2219288.hkl |
Original IUCr paper | HTML |
Chemical name | 1-[2-Oxo-1'-phenyl-2',3',5',6',7',7a'-hexahydroindoline-3-spiro- 3'-1'<i>H</i>-pyrrolizin-2'-yl]-3-phenylprop-2-en-1-one |
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Formula | C29 H26 N2 O2 |
Calculated formula | C29 H26 N2 O2 |
SMILES | O=C([C@H]1[C@H](c2ccccc2)[C@@H]2N([C@@]31C(=O)Nc1c3cccc1)CCC2)/C=C\c1ccccc1.O=C([C@@H]1[C@@H](c2ccccc2)[C@H]2N([C@]31C(=O)Nc1c3cccc1)CCC2)/C=C\c1ccccc1 |
Title of publication | 1-[2-Oxo-1'-phenyl-2',3',5',6',7',7a'-hexahydroindoline-3-spiro-3'-1'<i>H</i>-pyrrolizin-2'-yl]-3-phenylprop-2-en-1-one |
Authors of publication | Nirmala, S.; Murugan, R.; Kamala, E. Theboral Sugi; Sudha, L.; Sriman Narayanan, S. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 9 |
Pages of publication | o1817 |
a | 8.421 ± 0.0002 Å |
b | 11.8895 ± 0.0003 Å |
c | 12.5121 ± 0.0003 Å |
α | 95.662 ± 0.001° |
β | 105.071 ± 0.001° |
γ | 105.815 ± 0.001° |
Cell volume | 1144.31 ± 0.05 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0945 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1659 |
Weighted residual factors for all reflections included in the refinement | 0.1999 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2219288.html
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Users of the data should acknowledge the original authors of the
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