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Information card for entry 1555543
Preview
Coordinates | 1555543.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H32 O4 |
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Calculated formula | C22 H32 O4 |
SMILES | C1(=O)C=C([C@@H]2[C@H]([C@H](C(OC)OC)C)[C@H]3[C@H]4[C@@H](C[C@H](C(=O)[C@@]123)C)C4(C)C)C |
Title of publication | Three Minor Diterpenoids with Three Carbon Skeletons from Euphorbia peplus. |
Authors of publication | Wan, Luo-Sheng; Nian, Yin; Ye, Chen-Jun; Shao, Li-Dong; Peng, Xing-Rong; Geng, Chang-An; Zuo, Zhi-Li; Li, Xiao-Nian; Yang, Jian; Zhou, Ming; Qiu, Ming-Hua |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 9 |
Pages of publication | 2166 - 2169 |
a | 18.2916 ± 0.0005 Å |
b | 8.7712 ± 0.0003 Å |
c | 12.993 ± 0.0004 Å |
α | 90° |
β | 103.232 ± 0.001° |
γ | 90° |
Cell volume | 2029.24 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0463 |
Residual factor for significantly intense reflections | 0.0462 |
Weighted residual factors for significantly intense reflections | 0.1278 |
Weighted residual factors for all reflections included in the refinement | 0.1282 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/1555543.html
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Users of the data should acknowledge the original authors of the
structural data.