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Information card for entry 7203936
Preview
| Coordinates | 7203936.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | Kendomycin |
|---|---|
| Formula | C29 H42 O6 |
| Calculated formula | C29 H42 O6 |
| SMILES | O1[C@H]2C3=C(O)C(=O)C(=C4O[C@](O)(C=C34)[C@@H](C)C[C@@H](CC(=C[C@H](CC[C@@H]1[C@@H]([C@@H]([C@H]2C)O)C)C)C)C)C |
| Title of publication | Structure and biosynthesis of kendomycin, a carbocyclic ansa-compound from Streptomyces |
| Authors of publication | Bode, Helge B.; Zeeck, Axel |
| Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
| Year of publication | 2000 |
| Journal issue | 3 |
| Pages of publication | 323 |
| a | 10.032 ± 0.002 Å |
| b | 10.9 ± 0.002 Å |
| c | 24.779 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2709.6 ± 0.9 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0655 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7203936.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. |
7203936.cif |
| 180370 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/39. |
7203936.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7203936.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203936.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7203936.cif |
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Users of the data should acknowledge the original authors of the
structural data.