Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1569443
Preview
| Coordinates | 1569443.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H24 N12 O Si |
|---|---|
| Calculated formula | C23 H24 N12 O 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 | 15.9611 ± 0.0002 Å |
| b | 21.1674 ± 0.0003 Å |
| c | 22.6832 ± 0.0003 Å |
| α | 90° |
| β | 97.74 ± 0.001° |
| γ | 90° |
| Cell volume | 7593.81 ± 0.18 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0506 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1569443.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.