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Information card for entry 1546718
Preview
| Coordinates | 1546718.cif |
|---|---|
| Structure factors | 1546718.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2-Isopropyl-4,7-dimethyl-1-nitronaphthalene |
|---|---|
| Formula | C15 H17 N O2 |
| Calculated formula | C15 H17 N O2 |
| Title of publication | 2-Isopropyl-4,7-dimethyl-1-nitronaphthalene |
| Authors of publication | Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 4 |
| Pages of publication | x170584 |
| a | 15.6744 ± 0.0012 Å |
| b | 6.9475 ± 0.0005 Å |
| c | 11.988 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1305.47 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0468 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199314 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 1546718 via cif-deposit CGI script. |
1546718.cif 1546718.hkl |
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