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Information card for entry 1547051
Preview
Coordinates | 1547051.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H42 O8 |
---|---|
Calculated formula | C33 H42 O8 |
SMILES | O1[C@@H]2[C@@H]3[C@@]4([C@@H](OC(=O)C)[C@H](OC(=O)C(=C\C)\C)[C@@]1(O)C4)[C@H](C(C)C)CC(=O)[C@]3(C1=CC[C@H]([C@]1(C)C2)c1ccoc1)C |
Title of publication | Walrobsins A and B, Two Anti-inflammatory Limonoids from Root Barks of Walsura robusta. |
Authors of publication | An, Fa-Liang; Sun, Dong-Mei; Li, Rui-Jun; Zhou, Miao-Miao; Yang, Ming-Hua; Yin, Yong; Kong, Ling-Yi; Luo, Jun |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 17 |
Pages of publication | 4568 - 4571 |
a | 9.5408 ± 0.0001 Å |
b | 16.3122 ± 0.0001 Å |
c | 18.8674 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2936.36 ± 0.05 Å3 |
Cell temperature | 289 ± 2 K |
Ambient diffraction temperature | 289 ± 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 | 0.0452 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.1301 |
Weighted residual factors for all reflections included in the refinement | 0.1339 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 1.54184 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/1547051.html
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Users of the data should acknowledge the original authors of the
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