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Information card for entry 1545212
Preview
| Coordinates | 1545212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H27 Br O4 |
|---|---|
| Calculated formula | C21 H27 Br O4 |
| SMILES | Brc1ccc(C(=O)OC[C@@]23[C@@H](C[C@H]([C@H]4[C@@H]2[C@H](CCC4)O)C(C)C)O3)cc1 |
| Title of publication | Total Syntheses of (-)-Hibiscone C and Lysergine: A Cyclization/Fragmentation Strategy. |
| Authors of publication | Lu, Yandong; Yuan, Haosen; Zhou, Shijie; Luo, Tuoping |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 3 |
| Pages of publication | 620 - 623 |
| a | 6.272 ± 0.0005 Å |
| b | 7.7404 ± 0.0006 Å |
| c | 40.175 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1950.4 ± 0.3 Å3 |
| Cell temperature | 180 ± 0.1 K |
| Ambient diffraction temperature | 180 ± 0.1 K |
| Number of distinct elements | 4 |
| 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 | 0.0579 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.0727 |
| Weighted residual factors for all reflections included in the refinement | 0.0783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191304 (current) | 2017-02-04 | cif/ Adding structures of 1545212 via cif-deposit CGI script. |
1545212.cif |
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Users of the data should acknowledge the original authors of the
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