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Information card for entry 4109775
Preview
Coordinates | 4109775.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H22 Cl N O6 |
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Calculated formula | C22 H22 Cl N O6 |
SMILES | ClC1=C2C(=CN([C@]3(OCCC3)[C@@H]2O)Cc2ccccc2)C(=O)[C@@](OC(=O)C)(C1=O)C.ClC1=C2C(=CN([C@@]3(OCCC3)[C@H]2O)Cc2ccccc2)C(=O)[C@](OC(=O)C)(C1=O)C |
Title of publication | Total Synthesis, Stereochemical Reassignment, and Absolute Configuration of Chlorofusin |
Authors of publication | Sang Yeul Lee; Ryan C. Clark; Dale L. Boger |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 9860 - 9861 |
a | 7.5319 ± 0.0015 Å |
b | 11.179 ± 0.002 Å |
c | 12.639 ± 0.003 Å |
α | 99.22 ± 0.03° |
β | 94.76 ± 0.03° |
γ | 93.14 ± 0.03° |
Cell volume | 1044.3 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0883 |
Residual factor for significantly intense reflections | 0.0629 |
Weighted residual factors for significantly intense reflections | 0.1419 |
Weighted residual factors for all reflections included in the refinement | 0.1554 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4109775.html
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Users of the data should acknowledge the original authors of the
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