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Information card for entry 7228801
Preview
| Coordinates | 7228801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H112 N8 O20 Si8 |
|---|---|
| Calculated formula | C72 H112 N8 O20 Si8 |
| Title of publication | Facile synthesis of novel hybrid POSS biomolecules via “Click” reactions |
| Authors of publication | El Aziz, Youssef; Mehrban, Nazia; Taylor, Peter G.; Birchall, Martin A.; Bowen, James; Bassindale, Alan R.; Pitak, Mateusz B.; Coles, Simon J. |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 59 |
| Pages of publication | 37474 |
| a | 9.6202 ± 0.0003 Å |
| b | 14.1254 ± 0.0003 Å |
| c | 17.6565 ± 0.0006 Å |
| α | 71.392 ± 0.002° |
| β | 74.675 ± 0.003° |
| γ | 70.56 ± 0.002° |
| Cell volume | 2110.45 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0544 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1215 |
| Weighted residual factors for all reflections included in the refinement | 0.128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7228801.cif |
| 199397 | 2017-07-29 | cif/ Adding structures of 7228801 via cif-deposit CGI script. |
7228801.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.