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Information card for entry 7151900
Preview
| Coordinates | 7151900.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C22 H32 O8 |
|---|---|
| Calculated formula | C22 H32 O8 |
| SMILES | O[C@H]1CCC([C@H]2[C@H](O)[C@]3(OC[C@@]12[C@H]1[C@@]23[C@H](O)[C@@H](CC1)C(=O)C2=O)O)(C)C.O=C(C)C |
| Title of publication | Synthesis and revision of stereochemistry of rubescensin S |
| Authors of publication | Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 12 |
| Pages of publication | 4436 |
| a | 26.995 ± 0.005 Å |
| b | 6.0828 ± 0.0012 Å |
| c | 14.322 ± 0.003 Å |
| α | 90° |
| β | 117.723 ± 0.003° |
| γ | 90° |
| Cell volume | 2081.8 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.1594 |
| Weighted residual factors for all reflections included in the refinement | 0.1647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| 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. |
7151900.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151900.cif |
| 180305 | 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 7/15/19. |
7151900.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151900.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151900.cif |
| 21445 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151899, 7151900, 7151901, 7151902 via cif-deposit CGI script. |
7151900.cif |
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Users of the data should acknowledge the original authors of the
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