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Information card for entry 1513221
Preview
Coordinates | 1513221.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H44 O11 |
---|---|
Calculated formula | C29 H44 O11 |
SMILES | O([C@@H]1[C@]2([C@](O)(C(CC1)(C)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1[C@@H]2C[C@]2(O[C@@H](OC)C=C2[C@]1(OC)C)OC)C)C(=O)C |
Title of publication | Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax |
Authors of publication | Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang |
Journal of publication | Journal of Natural Products |
Year of publication | 2013 |
Journal volume | 76 |
Journal issue | 12 |
Pages of publication | 2210 |
a | 11.3539 ± 0.0001 Å |
b | 11.8861 ± 0.0001 Å |
c | 21.7292 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2932.43 ± 0.04 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 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 | 0.0322 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0862 |
Weighted residual factors for all reflections included in the refinement | 0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/1513221.html
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Users of the data should acknowledge the original authors of the
structural data.