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Information card for entry 1551812
Preview
| Coordinates | 1551812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 O5 |
|---|---|
| Calculated formula | C20 H20 O5 |
| SMILES | O1c2cc3C[C@H](O)[C@@](Cc3cc2OC1)(c1c(c2OCOc2cc1)C)C.O1c2cc3C[C@@H](O)[C@](Cc3cc2OC1)(c1c(c2OCOc2cc1)C)C |
| Title of publication | X-ray Structure Analysis of (dl)-DeN-Corynoline, Derived from Hexahydorobenzo[c]phenanthridine Type Alkaloid Corynoline |
| Authors of publication | KAMIGAUCHI, Miyoko; IN, Yasuko; ISHIDA, Toshimasa |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 27 |
| a | 13.435 ± 0.003 Å |
| b | 23.358 ± 0.003 Å |
| c | 10.139 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3181.8 ± 1.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0649 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1388 |
| Weighted residual factors for all reflections included in the refinement | 0.1462 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.191 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216425 (current) | 2019-06-20 | cif/ Adding structures of 1551812 via cif-deposit CGI script. |
1551812.cif |
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Users of the data should acknowledge the original authors of the
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