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Information card for entry 7123761
Preview
| Coordinates | 7123761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H50 B2 O14 Si8 |
|---|---|
| Calculated formula | C60 H50 B2 O14 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 | 13.0387 ± 0.0009 Å |
| b | 13.2083 ± 0.0009 Å |
| c | 19.4033 ± 0.0014 Å |
| α | 76.749 ± 0.001° |
| β | 78.484 ± 0.001° |
| γ | 68.265 ± 0.001° |
| Cell volume | 2997 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0961 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1444 |
| Weighted residual factors for all reflections included in the refinement | 0.1728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7123761.cif |
| 216681 | 2019-07-03 | cif/ Adding structures of 7123761, 7123762, 7123763 via cif-deposit CGI script. |
7123761.cif |
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Users of the data should acknowledge the original authors of the
structural data.