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Information card for entry 8107241
Preview
| Coordinates | 8107241.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 O8 |
|---|---|
| Calculated formula | C18 H16 O8 |
| SMILES | O1C(=C(OC)C(=O)c2c(O)c(OC)c(OC)cc12)c1cc(O)c(O)cc1 |
| Title of publication | The crystal structure of Chrysosplenol D, C18H16O8 |
| Authors of publication | Li, Yijv; Zhao, Nengwu; Ye, Jianghai; Xu, Fangfang; Luo, Shuntong; Lang, Tianqiong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 5 |
| Pages of publication | 877 - 879 |
| a | 14.5762 ± 0.0006 Å |
| b | 6.6791 ± 0.0003 Å |
| c | 17.424 ± 0.0007 Å |
| α | 90° |
| β | 103.582 ± 0.001° |
| γ | 90° |
| Cell volume | 1648.89 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0547 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Weighted residual factors for all reflections included in the refinement | 0.1218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71076 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283934 (current) | 2023-05-22 | cif/ Adding structures of 8107241 via cif-deposit CGI script. |
8107241.cif |
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Users of the data should acknowledge the original authors of the
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