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Information card for entry 1555053
Preview
| Coordinates | 1555053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H38 O5 S |
|---|---|
| Calculated formula | C21 H38 O5 S |
| SMILES | C1(=O)CCCC[C@]2(CC[C@@H]3[C@@]([C@H]12)(COS(C(C)(C)C)(C)C)OC(C)(C)O3)O.C1(=O)CCCC[C@@]2(CC[C@H]3[C@]([C@@H]12)(COS(C(C)(C)C)(C)C)OC(C)(C)O3)O |
| Title of publication | Stereoselective Total Syntheses of Guanacastepenes N and O. |
| Authors of publication | Peng, Shao-Zheng; Sha, Chin-Kang |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 14 |
| Pages of publication | 3486 - 3489 |
| a | 16.4753 ± 0.0003 Å |
| b | 10.1532 ± 0.0002 Å |
| c | 13.8282 ± 0.0003 Å |
| α | 90° |
| β | 98.669 ± 0.001° |
| γ | 90° |
| Cell volume | 2286.71 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0667 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.184 |
| Weighted residual factors for all reflections included in the refinement | 0.2002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238297 (current) | 2019-11-24 | cif/ Adding structures of 1555053 via cif-deposit CGI script. |
1555053.cif |
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Users of the data should acknowledge the original authors of the
structural data.