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Information card for entry 8106098
Preview
| Coordinates | 8106098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H27 N O3 |
|---|---|
| Calculated formula | C19 H27 N O3 |
| SMILES | Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C.O=CN |
| Title of publication | The crystal structure of the formamide solvate of (17b)-estra-1,3,5(10)-triene-3,17diol, C19H27NO3 |
| Authors of publication | Wang, Hui P.; Xu, Juan; Ning, Li F.; Li, Peng; Chen, Xiao F. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 2 |
| Pages of publication | 199 - 201 |
| a | 8.1564 ± 0.0016 Å |
| b | 16.937 ± 0.003 Å |
| c | 24.686 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3410.2 ± 1.1 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153.15 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 | 0.0719 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1345 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279292 (current) | 2022-11-15 | cif/ Adding structures of 8106098 via cif-deposit CGI script. |
8106098.cif |
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