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Information card for entry 1569441
Preview
| Coordinates | 1569441.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H14 N6 Si |
|---|---|
| Calculated formula | C10 H14 N6 Si |
| Title of publication | Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines |
| Authors of publication | Herbig, Marcus; Kroke, Edwin; Wagler, Jörg |
| Journal of publication | Crystals |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 990 |
| a | 8.6757 ± 0.0004 Å |
| b | 8.874 ± 0.0004 Å |
| c | 9.0989 ± 0.0004 Å |
| α | 64.211 ± 0.003° |
| β | 75.463 ± 0.003° |
| γ | 79.194 ± 0.003° |
| Cell volume | 608.08 ± 0.05 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| 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 |
|---|---|---|---|
| 284989 (current) | 2023-07-05 | cif/ Adding structures of 1569440, 1569441, 1569442, 1569443 via cif-deposit CGI script. |
1569441.cif |
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Users of the data should acknowledge the original authors of the
structural data.