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Information card for entry 4033332
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4033332.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H30 O4 |
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Calculated formula | C20 H30 O4 |
SMILES | O1[C@H]2C=C(C[C@@H]3OC(=O)C(=C3)CC[C@@H](O)[C@@]1(CC[C@@H]2C(C)C)C)C |
Title of publication | Quorumolides A-C, Three Cembranoids from Euphorbia antiquorum. |
Authors of publication | Qi, Wei-Yan; Zhao, Jin-Xin; Wei, Wen-Jun; Gao, Kun; Yue, Jian-Min |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 2 |
Pages of publication | 1041 - 1045 |
a | 6.1442 ± 0.0001 Å |
b | 11.1047 ± 0.0001 Å |
c | 13.2427 ± 0.0001 Å |
α | 90° |
β | 91.632 ± 0.001° |
γ | 90° |
Cell volume | 903.176 ± 0.018 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0346 |
Residual factor for significantly intense reflections | 0.0339 |
Weighted residual factors for significantly intense reflections | 0.09 |
Weighted residual factors for all reflections included in the refinement | 0.0907 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4033332.html
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Users of the data should acknowledge the original authors of the
structural data.