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Information card for entry 2006324
Preview
| Coordinates | 2006324.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C13 H24 N2 O |
|---|---|
| Calculated formula | C13 H24 N2 O |
| SMILES | O=C(NC1CCCCC1)NC1CCCCC1 |
| Title of publication | <i>N</i>,<i>N</i>'-Dicyclohexylurea |
| Authors of publication | Govindasamy, L.; Subramanian, E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 927 - 928 |
| a | 11.52 ± 0.001 Å |
| b | 4.7 ± 0.001 Å |
| c | 12.04 ± 0.001 Å |
| α | 90° |
| β | 95.44 ± 0.01° |
| γ | 90° |
| Cell volume | 648.96 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.123 |
| Residual factor for significantly intense reflections | 0.0646 |
| Weighted residual factors for all reflections | 0.1807 |
| Weighted residual factors for significantly intense reflections | 0.161 |
| Goodness-of-fit parameter for all reflections | 0.93 |
| Goodness-of-fit parameter for significantly intense reflections | 1.127 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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