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Information card for entry 1555052
Preview
| Coordinates | 1555052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 O5 |
|---|---|
| Calculated formula | C15 H20 O5 |
| SMILES | [C@H]12CCCC[C@@]34[C@@H](C[C@H]5[C@]([C@@H]13)(C(=O)O2)OC(C)(C)O5)O4 |
| 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 | 7.3936 ± 0.0009 Å |
| b | 10.5735 ± 0.0012 Å |
| c | 17.817 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1392.9 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0452 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238296 (current) | 2019-11-24 | cif/ Adding structures of 1555052 via cif-deposit CGI script. |
1555052.cif |
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