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Information card for entry 2205146
Preview
| Coordinates | 2205146.cif |
|---|---|
| Structure factors | 2205146.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-(4-nitrophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline |
|---|---|
| Formula | C18 H18 N2 O3 |
| Calculated formula | C18 H18 N2 O3 |
| SMILES | N1[C@@H]([C@H]2CCCO[C@H]2c2c1cccc2)c1ccc(N(=O)=O)cc1.N1[C@H]([C@@H]2CCCO[C@@H]2c2c1cccc2)c1ccc(N(=O)=O)cc1 |
| Title of publication | A diastereoisomer of pyrano[3,2-<i>c</i>]quinoline |
| Authors of publication | K.Ravikumar; B.Sridhar; M. Mahesh; V. V. Narayana Reddy |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 2 |
| Pages of publication | o461 - o463 |
| a | 9.5001 ± 0.001 Å |
| b | 9.8823 ± 0.001 Å |
| c | 9.9403 ± 0.001 Å |
| α | 98.039 ± 0.002° |
| β | 115.157 ± 0.002° |
| γ | 104.092 ± 0.002° |
| Cell volume | 787.18 ± 0.14 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0731 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.1318 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.