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Information card for entry 7044787
Preview
| Coordinates | 7044787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H37 B2 Br5 N2 |
|---|---|
| Calculated formula | C26 H37 B2 Br5 N2 |
| SMILES | B1(Br)N(CC=[N+]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[B](Br)(Br)(Br)[Br-] |
| Title of publication | 1,3,2-Diazaborole-derived carbene complexes of boron. |
| Authors of publication | Hickox, Hunter P.; Wang, Yuzhong; Luedecke, Kaitlin M.; Xie, Yaoming; Wei, Pingrong; Carrillo, Deidrah; Dominique, Nathaniel L.; Cui, Dongtao; Schaefer, Henry F.; Robinson, Gregory H. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 47 |
| Journal issue | 1 |
| Pages of publication | 41 - 44 |
| a | 12.317 ± 0.002 Å |
| b | 22.811 ± 0.005 Å |
| c | 14.606 ± 0.003 Å |
| α | 90° |
| β | 109.718 ± 0.006° |
| γ | 90° |
| Cell volume | 3863.1 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0534 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| 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. |
7044787.cif |
| 229387 | 2019-11-17 | cif/ Updating files of 7044787, 7044788, 7044789 Original log message: Adding full bibliography for 7044787--7044789.cif. |
7044787.cif |
| 203246 | 2017-11-17 | cif/ Adding structures of 7044787, 7044788, 7044789 via cif-deposit CGI script. |
7044787.cif |
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Users of the data should acknowledge the original authors of the
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