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Information card for entry 1563593
Preview
| Coordinates | 1563593.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H46 O5 |
|---|---|
| Calculated formula | C38 H46 O5 |
| Title of publication | Discovery of Four Modified Classes of Triterpenoids Delineated a Metabolic Cascade: Compound Characterization and Biomimetic Synthesis |
| Authors of publication | Zhou, Bin; Gao, Xinhua; Zhang, Minmin; Zheng, Chengyu; Liu, Hongchun; Yue, Jian-Min |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 18.0938 ± 0.001 Å |
| b | 7.0743 ± 0.0004 Å |
| c | 24.2239 ± 0.0014 Å |
| α | 90° |
| β | 92.505 ± 0.003° |
| γ | 90° |
| Cell volume | 3097.7 ± 0.3 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0563 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266582 (current) | 2021-06-20 | cif/ Adding structures of 1563593 via cif-deposit CGI script. |
1563593.cif |
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Users of the data should acknowledge the original authors of the
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