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Information card for entry 7112630
Preview
| Coordinates | 7112630.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H29 N O7 |
|---|---|
| Calculated formula | C23 H29 N O7 |
| Title of publication | Synthesis of the 6,6,5,7-tetracyclic core of daphnilongeranin B |
| Authors of publication | Xiaochun Xiong; Yong Li; Zhaoyong Lu; Ming Wan; Jun Deng; Shuhang Wu; Huawu Shao; Ang Li |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 5294 |
| a | 8.2542 ± 0.0009 Å |
| b | 26.236 ± 0.003 Å |
| c | 10.2531 ± 0.0012 Å |
| α | 90° |
| β | 104.029 ± 0.002° |
| γ | 90° |
| Cell volume | 2154.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.133 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.1864 |
| Weighted residual factors for all reflections included in the refinement | 0.2123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.