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Information card for entry 1505221
Preview
| Coordinates | 1505221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Wyeth CL-118,773 [ L-24525-179-8 ] |
|---|---|
| Chemical name | 21-Hydroxyoligomycin A Bis(Chloroform) Tris(Methanol) Solvate |
| Formula | C50 H88 Cl6 O15 |
| Calculated formula | C50 H88 Cl6 O15 |
| SMILES | ClC(Cl)Cl.ClC(Cl)Cl.CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H]([C@@H]([C@H](/C=C/C(=O)O[C@@H]2[C@@H]([C@H](C[C@H]1O)O[C@]1(CC[C@@H]([C@@H](O1)C[C@H](O)C)C)[C@H]2C)C)C)O)C.OC.OC.OC |
| Title of publication | Structure and absolute stereochemistry of 21-hydroxyoligomycin A. |
| Authors of publication | Wagenaar, Melissa M.; Williamson, R. Thomas; Ho, Douglas M.; Carter, Guy T. |
| Journal of publication | Journal of natural products |
| Year of publication | 2007 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | 367 - 371 |
| a | 10.0874 ± 0.0002 Å |
| b | 12.5229 ± 0.0002 Å |
| c | 13.6632 ± 0.0002 Å |
| α | 65.648 ± 0.001° |
| β | 88.15 ± 0.001° |
| γ | 86.102 ± 0.001° |
| Cell volume | 1568.77 ± 0.05 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0807 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for all reflections | 0.1738 |
| Weighted residual factors for all reflections included in the refinement | 0.1539 |
| Goodness-of-fit parameter for all reflections | 1.034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1505221.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505221.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505221.cif |
| 45431 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505221 via cif-deposit CGI script. |
1505221.cif |
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Users of the data should acknowledge the original authors of the
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