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Information card for entry 1555045
Preview
| Coordinates | 1555045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 O3 |
|---|---|
| Calculated formula | C12 H14 O3 |
| SMILES | [C@H]12CCCC[C@]34[C@H](CC=C([C@@H]13)C(=O)O2)O4.[C@@H]12CCCC[C@@]34[C@@H](CC=C([C@H]13)C(=O)O2)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 | 12.324 ± 0.001 Å |
| b | 7.8713 ± 0.0006 Å |
| c | 10.6532 ± 0.0008 Å |
| α | 90° |
| β | 92.217 ± 0.001° |
| γ | 90° |
| Cell volume | 1032.65 ± 0.14 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0541 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238293 (current) | 2019-11-24 | cif/ Adding structures of 1555045 via cif-deposit CGI script. |
1555045.cif |
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