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Information card for entry 7227263
Preview
| Coordinates | 7227263.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C128 H104 O28 Si8 |
|---|---|
| Calculated formula | C128 H104 O28 Si8 |
| SMILES | C(=C\c1ccc(cc1)C(=O)OCc1ccccc1)/[Si]12O[Si]3(O[Si]4(O[Si]5(O[Si](O[Si](O1)(O[Si](O3)(/C=C/c1ccc(cc1)C(=O)OCc1ccccc1)O5)/C=C/c1ccc(cc1)C(=O)OCc1ccccc1)(O[Si](O4)(/C=C/c1ccc(cc1)C(=O)OCc1ccccc1)O2)/C=C/c1ccc(cc1)C(=O)OCc1ccccc1)/C=C/c1ccc(cc1)C(=O)OCc1ccccc1)/C=C/c1ccc(cc1)C(=O)OCc1ccccc1)/C=C/c1ccc(cc1)C(=O)OCc1ccccc1 |
| Title of publication | Hydrogen bond-directed assembly of silsesquioxanes cubes: synthesis of carboxylic acid POSS derivatives and the solid state structure of octa[2-(p-carboxyphenyl)ethyl] silsesquioxane |
| Authors of publication | Voisin, Doria; Flot, David; Van der Lee, Arie; Dautel, Olivier J.; Moreau, Joel J. E. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 3 |
| Pages of publication | 492 |
| a | 13.7763 ± 0.0012 Å |
| b | 16.0926 ± 0.0012 Å |
| c | 17.8036 ± 0.001 Å |
| α | 82.048 ± 0.005° |
| β | 72.999 ± 0.006° |
| γ | 68.508 ± 0.008° |
| Cell volume | 3509.9 ± 0.5 Å3 |
| Cell temperature | 175 K |
| Ambient diffraction temperature | 175 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 | 0.1262 |
| Residual factor for significantly intense reflections | 0.0989 |
| Weighted residual factors for all reflections | 0.1518 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1368 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7227263.cif |
| 191563 | 2017-02-04 | cif/ Updating files of 7227263, 7227264 Original log message: Adding full bibliography for 7227263--7227264.cif. |
7227263.cif |
| 189112 | 2016-12-14 | cif/ Adding structures of 7227263, 7227264 via cif-deposit CGI script. |
7227263.cif |
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Users of the data should acknowledge the original authors of the
structural data.