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Information card for entry 1572952
Preview
| Coordinates | 1572952.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>,<i>N</i>',<i>N</i>''-Tricyclopropylbenzene-1,3,5-tricarboxamide |
|---|---|
| Formula | C18 H21 N3 O3 |
| Calculated formula | C18 H21 N3 O3 |
| Authors of publication | Stapf, Manuel; Miyyapuram, Venugopal Rao; Seichter, Wilhelm; Mazik, Monika |
| Year of publication | 2024 |
| a | 4.9435 ± 0.0002 Å |
| b | 14.2798 ± 0.0005 Å |
| c | 23.1247 ± 0.0009 Å |
| α | 90° |
| β | 95.512 ± 0.002° |
| γ | 90° |
| Cell volume | 1624.88 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0539 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295624 (current) | 2024-10-25 | cif/ Adding structures of 1572952 via cif-deposit CGI script. |
1572952.cif |
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