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Information card for entry 1555946
Preview
Coordinates | 1555946.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H39 O3 |
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Calculated formula | C23 H39 O3 |
SMILES | O[C@@H]1CC[C@]2(O)[C@]3(CC[C@](C[C@@H]3C[C@H]2C(=O)C1(C)C)(C)C=C)C.C(CCC)CC |
Title of publication | Euphomilones A and B, ent-Rosane Diterpenoids with 7/5/6 and 5/7/6 Skeletons from Euphorbia milii. |
Authors of publication | Liu, Shao-Nan; Huang, Dane; Morris-Natschke, Susan L; Ma, Hang; Liu, Zhi-Hong; Seeram, Navindra P.; Xu, Jun; Lee, Kuo-Hsiung; Gu, Qiong |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 23 |
Pages of publication | 6132 - 6135 |
a | 7.46386 ± 0.00006 Å |
b | 20.34874 ± 0.00017 Å |
c | 14.16918 ± 0.00013 Å |
α | 90° |
β | 92.7434 ± 0.0008° |
γ | 90° |
Cell volume | 2149.55 ± 0.03 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 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 | 0.0502 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1327 |
Weighted residual factors for all reflections included in the refinement | 0.1358 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/1555946.html
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