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Information card for entry 8107035
Preview
| Coordinates | 8107035.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 Cl N3 O |
|---|---|
| Calculated formula | C15 H20 Cl N3 O |
| Title of publication | Crystal structure of (2RS,3RS)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol, C15H20ClN3O |
| Authors of publication | Wan-Ming, Xiong; Juan-Hua, Kong; Jing, Chen; Jin-Zhu, Chen; Xu-Liang, Nie |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 879 - 881 |
| a | 19.3 ± 0.002 Å |
| b | 10.8262 ± 0.0011 Å |
| c | 15.4282 ± 0.0016 Å |
| α | 90° |
| β | 100.457 ± 0.004° |
| γ | 90° |
| Cell volume | 3170.1 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.105 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282389 (current) | 2023-04-05 | cif/ Adding structures of 8107035 via cif-deposit CGI script. |
8107035.cif |
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Users of the data should acknowledge the original authors of the
structural data.