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Information card for entry 1547393
Preview
Coordinates | 1547393.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H34 O7 |
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Calculated formula | C22 H34 O7 |
SMILES | C1(=CO[C@@H](C(C1=O)(C)C)OC)[C@]1([C@H]2[C@@]3(C[C@@H](OC)O1)[C@@H]([C@@H](CC2)[C@](C3)(C)O)O)C |
Title of publication | Rhodomollacetals A-C, PTP1B Inhibitory Diterpenoids with a 2,3:5,6-Di-seco-grayanane Skeleton from the Leaves of Rhododendron molle. |
Authors of publication | Zhou, Junfei; Sun, Na; Zhang, Hanqi; Zheng, Guijuan; Liu, Junjun; Yao, Guangmin |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 19 |
Pages of publication | 5352 - 5355 |
a | 12.1637 ± 0.0003 Å |
b | 6.9628 ± 0.0002 Å |
c | 13.0151 ± 0.0004 Å |
α | 90° |
β | 104.05 ± 0.001° |
γ | 90° |
Cell volume | 1069.32 ± 0.05 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0333 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.0813 |
Weighted residual factors for all reflections included in the refinement | 0.0831 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/1547393.html
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Users of the data should acknowledge the original authors of the
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