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Information card for entry 7123763
Preview
| Coordinates | 7123763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H54 B2 O16 Si8 |
|---|---|
| Calculated formula | C62 H54 B2 O16 Si8 |
| Title of publication | A General Diversity Oriented Synthesis of Asymmetric Double-Decker Shaped Silsesquioxanes |
| Authors of publication | Barry, Badru-Deen; Dannatt, Jonathan Elvin; King, Austin Kendall; Lee, Andre; Maleczka, Robert |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 24.7461 ± 0.0003 Å |
| b | 22.7525 ± 0.0004 Å |
| c | 11.4396 ± 0.0002 Å |
| α | 90° |
| β | 93.626 ± 0.001° |
| γ | 90° |
| Cell volume | 6428.01 ± 0.18 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1208 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1213 |
| Weighted residual factors for all reflections included in the refinement | 0.149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123763.cif |
| 216681 | 2019-07-03 | cif/ Adding structures of 7123761, 7123762, 7123763 via cif-deposit CGI script. |
7123763.cif |
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Users of the data should acknowledge the original authors of the
structural data.