Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4129025
Preview
| Coordinates | 4129025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H31 N O |
|---|---|
| Calculated formula | C24 H31 N O |
| SMILES | O=C1[C@@H]2[C@@H]3c4c5c([nH]c4C(C1)(C)C)cccc5C([C@H]3CCC2(C)C)(C)C |
| Title of publication | Total Synthesis of (-)-Ambiguine P. |
| Authors of publication | Xu, Jiasu; Rawal, Viresh H. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 12 |
| Pages of publication | 4820 - 4823 |
| a | 10.883 ± 0.004 Å |
| b | 14.071 ± 0.006 Å |
| c | 13.651 ± 0.006 Å |
| α | 90° |
| β | 105.587 ± 0.011° |
| γ | 90° |
| Cell volume | 2013.6 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1015 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1276 |
| Weighted residual factors for all reflections included in the refinement | 0.1494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 222032 (current) | 2019-11-03 | cif/ Adding structures of 4129025 via cif-deposit CGI script. |
4129025.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.