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Information card for entry 1548672
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| Coordinates | 1548672.cif |
|---|---|
| Structure factors | 1548672.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Hexyl-5,5-diphenylimidazolidine-2,4-dione |
|---|---|
| Formula | C21 H24 N2 O2 |
| Calculated formula | C21 H24 N2 O2 |
| SMILES | O=C1N(C(=O)NC1(c1ccccc1)c1ccccc1)CCCCCC |
| Title of publication | 3-Hexyl-5,5-diphenylimidazolidine-2,4-dione |
| Authors of publication | Guerrab, Walid; Mague, Joel T.; Taoufik, Jamal; Ramli, Youssef |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 1 |
| Pages of publication | x180057 |
| a | 8.5395 ± 0.0013 Å |
| b | 8.9377 ± 0.0013 Å |
| c | 23.444 ± 0.004 Å |
| α | 90° |
| β | 91.066 ± 0.002° |
| γ | 90° |
| Cell volume | 1789 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0549 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205180 (current) | 2018-01-13 | cif/ hkl/ Adding structures of 1548672 via cif-deposit CGI script. |
1548672.cif 1548672.hkl |
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Users of the data should acknowledge the original authors of the
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