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Information card for entry 7045107
Preview
| Coordinates | 7045107.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H30 B N3 |
|---|---|
| Calculated formula | C28 H30 B N3 |
| Title of publication | Azaborines: synthesis and use in the generation of stabilized boron-substituted carbocations. |
| Authors of publication | Clarke, J. J.; Eisenberger, P.; Piotrkowski, S. S.; Crudden, C. M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 6 |
| Pages of publication | 1791 - 1795 |
| a | 12.1379 ± 0.0004 Å |
| b | 9.8806 ± 0.0004 Å |
| c | 18.5754 ± 0.0006 Å |
| α | 90° |
| β | 90.151 ± 0.002° |
| γ | 90° |
| Cell volume | 2227.74 ± 0.14 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7045107.cif |
| 229604 | 2019-11-17 | cif/ Updating files of 7045107 Original log message: Adding full bibliography for 7045107.cif. |
7045107.cif |
| 204435 | 2017-12-21 | cif/ Adding structures of 7045107 via cif-deposit CGI script. |
7045107.cif |
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Users of the data should acknowledge the original authors of the
structural data.