Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7151765
Preview
| Coordinates | 7151765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H26 Cl N O5 |
|---|---|
| Calculated formula | C25 H26 Cl N O5 |
| SMILES | N1([C@H]2[C@@H]([C@H]3OC(O[C@H]3C[C@H]2CC1)(C)C)c1cc2OCOc2cc1)C(=O)c1ccc(Cl)cc1.N1([C@@H]2[C@H]([C@@H]3OC(O[C@@H]3C[C@@H]2CC1)(C)C)c1cc2OCOc2cc1)C(=O)c1ccc(Cl)cc1 |
| Title of publication | Total synthesis of the Amaryllidaceae alkaloid clivonine. |
| Authors of publication | Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 2809 - 2820 |
| a | 6.0988 ± 0.0002 Å |
| b | 11.8551 ± 0.0004 Å |
| c | 16.3205 ± 0.0005 Å |
| α | 102.804 ± 0.003° |
| β | 98.74 ± 0.003° |
| γ | 102.13 ± 0.003° |
| Cell volume | 1100.31 ± 0.07 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54248 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180303 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/17. |
7151765.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151765.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151765.cif |
| 21258 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151762, 7151763, 7151764, 7151765 via cif-deposit CGI script. |
7151765.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.