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Information card for entry 8107389
Preview
| Coordinates | 8107389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H21 Cl N2 O |
|---|---|
| Calculated formula | C17 H21 Cl N2 O |
| Title of publication | The crystal structure of 1-(adamantan-1-yl)-3-(4-chlorophenyl)urea, C17H21ClN2O |
| Authors of publication | Pang, Liansu; Shao, Xiaojun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 183 - 184 |
| a | 9.275 ± 0.001 Å |
| b | 12.864 ± 0.0017 Å |
| c | 13.483 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1608.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1205 |
| Residual factor for significantly intense reflections | 0.0681 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1361 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284495 (current) | 2023-06-16 | cif/ Adding structures of 8107389 via cif-deposit CGI script. |
8107389.cif |
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Users of the data should acknowledge the original authors of the
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