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Information card for entry 1554448
Preview
| Coordinates | 1554448.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H33 Br O3 |
|---|---|
| Calculated formula | C28 H33 Br O3 |
| Title of publication | Total synthesis of (−)-8-epi-chromazonarol enabled by a unique N2H4·H2O promoted intramolecular oxa-Michael cyclization reaction |
| Authors of publication | Liu, Lin; Song, Huayue; Chen, Peng; Yuan, Ziyun; Feng, Shangbiao; Zhang, Weiwei; Fang, Bowen; Xie, Xingang; She, Xuegong |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 20 |
| Pages of publication | 3013 |
| a | 26.357 ± 0.0008 Å |
| b | 7.5712 ± 0.0003 Å |
| c | 24.9141 ± 0.0008 Å |
| α | 90° |
| β | 92.458 ± 0.003° |
| γ | 90° |
| Cell volume | 4967.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1352 |
| Weighted residual factors for all reflections included in the refinement | 0.1402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237244 (current) | 2019-11-24 | cif/ Adding structures of 1554448 via cif-deposit CGI script. |
1554448.cif |
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Users of the data should acknowledge the original authors of the
structural data.