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Information card for entry 7046393
Preview
| Coordinates | 7046393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H33 B Br2 O2 |
|---|---|
| Calculated formula | C26 H33 B Br2 O2 |
| Title of publication | Difuryl(supermesityl)borane: a versatile building block for extended π-conjugated materials. |
| Authors of publication | Riensch, Nicolas A.; Fritze, Lars; Schindler, Tobias; Kremer, Marius; Helten, Holger |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 31 |
| Pages of publication | 10399 - 10403 |
| a | 9.0914 ± 0.0012 Å |
| b | 10.6006 ± 0.0014 Å |
| c | 14.3655 ± 0.0018 Å |
| α | 71.643 ± 0.002° |
| β | 86.345 ± 0.002° |
| γ | 78.848 ± 0.002° |
| Cell volume | 1289.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0531 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7046393.cif |
| 229828 | 2019-11-17 | cif/ Updating files of 7046393, 7046394, 7046395 Original log message: Adding full bibliography for 7046393--7046395.cif. |
7046393.cif |
| 207845 | 2018-05-18 | cif/ Adding structures of 7046393, 7046394, 7046395 via cif-deposit CGI script. |
7046393.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.