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Information card for entry 1551778
Preview
| Coordinates | 1551778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 N O5 |
|---|---|
| Calculated formula | C21 H19 N O5 |
| SMILES | c1c2c(cc3[C@H]4N(Cc5c6c(ccc5[C@]4(C(=O)Cc13)C)OCO6)C)OCO2 |
| Title of publication | X-ray Structure Analysis of (d)-11-Oxo-corynoline, a Hexahydrobenzo[c]phenanthridine-type Alkaloid |
| Authors of publication | KAMIGAUCHI, Miyoko; MAEKAWA, Yukiko; IN, Yasuko; ISHIDA, Toshimasa |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 87 |
| a | 7.8481 ± 0.0006 Å |
| b | 10.1203 ± 0.0008 Å |
| c | 21.5728 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1713.4 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0496 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.184 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216390 (current) | 2019-06-20 | cif/ Adding structures of 1551778 via cif-deposit CGI script. |
1551778.cif |
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