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Information card for entry 1555660
Preview
Coordinates | 1555660.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H20 O6 |
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Calculated formula | C20 H20 O6 |
SMILES | O1C(=O)C2=C([C@]3([C@H](OC(=O)C3)[C@]3([C@@H]2C(=O)CC3)C)C)C[C@@H]1c1cocc1 |
Title of publication | Hapmnioides A-C, Rearranged Labdane-Type Diterpenoids from the Chinese Liverwort Haplomitrium mnioides. |
Authors of publication | Zhou, Jinchuan; Zhang, Jiaozhen; Li, Ruijuan; Liu, Jun; Fan, Peihong; Li, Yi; Ji, Mei; Dong, Yiwen; Yuan, Huiqing; Lou, Hongxiang |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 17 |
Pages of publication | 4274 - 4276 |
a | 10.2949 ± 0.0004 Å |
b | 10.4128 ± 0.0005 Å |
c | 16.2831 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1745.53 ± 0.13 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0529 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.0989 |
Weighted residual factors for all reflections included in the refinement | 0.1071 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/1555660.html
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Users of the data should acknowledge the original authors of the
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