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Information card for entry 1559484
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| Coordinates | 1559484.cif |
|---|---|
| Structure factors | 1559484.hkl |
| Original IUCr paper | HTML |
| Chemical name | (3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane |
|---|---|
| Formula | C8 H16 N2 Si |
| Calculated formula | C8 H16 N2 Si |
| SMILES | [Si](n1nc(cc1C)C)(C)(C)C |
| Title of publication | (3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane |
| Authors of publication | Böhme, Uwe; Bitto, Florian |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 11 |
| Pages of publication | x201444 |
| a | 6.1056 ± 0.0003 Å |
| b | 10.8114 ± 0.0007 Å |
| c | 15.5867 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1028.88 ± 0.1 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0313 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0786 |
| Weighted residual factors for all reflections included in the refinement | 0.0802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259032 (current) | 2020-11-07 | cif/ hkl/ Adding structures of 1559484 via cif-deposit CGI script. |
1559484.cif 1559484.hkl |
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Users of the data should acknowledge the original authors of the
structural data.