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Information card for entry 1505221
Preview
Coordinates | 1505221.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Wyeth CL-118,773 [ L-24525-179-8 ] |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1505221.html
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Users of the data should acknowledge the original authors of the
structural data.