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Information card for entry 1520178
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| Coordinates | 1520178.cif |
|---|
| Chemical name | N,N'-bis-Phenylurea |
|---|---|
| Formula | C13 H12 N2 O |
| Calculated formula | C13 H12 N2 O |
| SMILES | c1(ccccc1)NC(=O)Nc1ccccc1 |
| Title of publication | N,N'-bis-Phenylurea |
| Authors of publication | Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2008 |
| Pages of publication | 681 |
| a | 9.0662 ± 0.0003 Å |
| b | 10.342 ± 0.0004 Å |
| c | 11.738 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1100.59 ± 0.07 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0691 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 137625 (current) | 2015-06-01 | cif/ Adding structures of 1520178 via cif-deposit CGI script. |
1520178.cif |
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