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Information card for entry 7151899
Preview
| Coordinates | 7151899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C20 H28 O7 |
|---|---|
| Calculated formula | C20 H28 O7 |
| SMILES | O[C@H]1CCC([C@H]2[C@@H]3OC(=O)[C@@]45[C@@]3(OC[C@@]12[C@@H]4CC[C@H]([C@H]5O)C(=O)C)O)(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 | 6.526 ± 0.006 Å |
| b | 11.83 ± 0.01 Å |
| c | 12.312 ± 0.011 Å |
| α | 90° |
| β | 104.267 ± 0.013° |
| γ | 90° |
| Cell volume | 921.2 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1322 |
| Residual factor for significantly intense reflections | 0.086 |
| Weighted residual factors for significantly intense reflections | 0.149 |
| Weighted residual factors for all reflections included in the refinement | 0.1641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| 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. |
7151899.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. |
7151899.cif |
| 180304 | 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 7/15/18. |
7151899.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151899.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151899.cif |
| 21445 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151899, 7151900, 7151901, 7151902 via cif-deposit CGI script. |
7151899.cif |
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Users of the data should acknowledge the original authors of the
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