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Information card for entry 7151762
Preview
| Coordinates | 7151762.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H26 O6 |
|---|---|
| Calculated formula | C20 H26 O6 |
| SMILES | O1COc2cc(ccc12)C1=C[C@H](C[C@@H]2[C@H]1OC(O2)(C)C)CC(OC)OC.O1COc2cc(ccc12)C1=C[C@@H](C[C@H]2[C@@H]1OC(O2)(C)C)CC(OC)OC |
| 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 | 14.5941 ± 0.0004 Å |
| b | 9.4049 ± 0.0002 Å |
| c | 13.8121 ± 0.0003 Å |
| α | 90° |
| β | 91.949 ± 0.002° |
| γ | 90° |
| Cell volume | 1894.7 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0976 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Weighted residual factors for all reflections included in the refinement | 0.1191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7151762.cif |
| 180303 | 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. |
7151762.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151762.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151762.cif |
| 21258 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151762, 7151763, 7151764, 7151765 via cif-deposit CGI script. |
7151762.cif |
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