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Information card for entry 2006433
Preview
| Coordinates | 2006433.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea |
|---|---|
| Formula | C14 H17 N3 O2 |
| Calculated formula | C14 H17 N3 O2 |
| SMILES | C1(CCCCC1)(C#N)N(O)C(=O)Nc1ccccc1 |
| Title of publication | 1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea |
| Authors of publication | Frydenvang, Karla; Larsen, Ingrid Kjøller |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 8 |
| Pages of publication | 1091 - 1093 |
| a | 10.0301 ± 0.0006 Å |
| b | 11.7403 ± 0.0007 Å |
| c | 11.766 ± 0.0007 Å |
| α | 95.559 ± 0.005° |
| β | 90.617 ± 0.005° |
| γ | 97.323 ± 0.005° |
| Cell volume | 1367.38 ± 0.14 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0703 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for all reflections | 0.1171 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections | 0.973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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