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Information card for entry 8107098
Preview
| Coordinates | 8107098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H16 N2 O |
|---|---|
| Calculated formula | C11 H16 N2 O |
| Title of publication | Crystal structure of 1,1-dimethyl-3-(2-phenylethyl)urea, C11H16N2O |
| Authors of publication | El-Hiti, Gamal A.; Smith, Keith; Alshammari, Mohammed B.; Alotaibi, Mohammad Hayal; Kariuki, Benson M. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 4 |
| Pages of publication | 1065 - 1066 |
| a | 10.7388 ± 0.0006 Å |
| b | 9.8449 ± 0.0005 Å |
| c | 21.1259 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2233.5 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.09 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1533 |
| Weighted residual factors for all reflections included in the refinement | 0.1795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282766 (current) | 2023-04-20 | cif/ Adding structures of 8107098 via cif-deposit CGI script. |
8107098.cif |
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Users of the data should acknowledge the original authors of the
structural data.