Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7112156
Preview
| Coordinates | 7112156.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | dimesitylsilanediol with 7-azaindole |
|---|---|
| Formula | C25 H30 N2 O2 Si |
| Calculated formula | C25 H30 N2 O2 Si |
| SMILES | [Si](O)(O)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[nH]1c2ncccc2cc1 |
| Title of publication | Supramolecular hydrogen-bonding assembly of silanediols with bifunctional heterocycles |
| Authors of publication | Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K. |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 3738 |
| a | 11.9457 ± 0.001 Å |
| b | 11.0271 ± 0.001 Å |
| c | 17.2592 ± 0.0015 Å |
| α | 90° |
| β | 97.921 ± 0.001° |
| γ | 90° |
| Cell volume | 2251.8 ± 0.3 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0484 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7112156.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7112156.cif |
| 138945 | 2015-06-09 | cif/7/11/ (antanas@echidna.ibt.lt) Removing tags citting the parts of the original paper from CIFs 7112156, 7112157, 7112158, 7112159. |
7112156.cif |
| 107450 | 2014-03-19 | cif/ Adding structures of 7112156, 7112157, 7112158, 7112159 via cif-deposit CGI script. |
7112156.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.