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Information card for entry 1545662
Preview
Coordinates | 1545662.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H34 O10 |
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Calculated formula | C32 H34 O10 |
SMILES | O1[C@@]2(C(=CC[C@H](OC)[C@H]2O)C(=O)c2c1cc(c(c2O)c1c(O)c2C(=O)C3=CC[C@H](OC)[C@@H](O)[C@@]3(Oc2cc1C)C)C)C |
Title of publication | Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A. |
Authors of publication | Xiao, Zheming; Li, Yayue; Gao, Shuanhu |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 7 |
Pages of publication | 1834 - 1837 |
a | 7.1873 ± 0.0004 Å |
b | 16.9756 ± 0.001 Å |
c | 26.5949 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3244.8 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1041 |
Residual factor for significantly intense reflections | 0.0702 |
Weighted residual factors for significantly intense reflections | 0.1814 |
Weighted residual factors for all reflections included in the refinement | 0.1994 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1545662.html
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structural data.