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Information card for entry 7702081
Preview
| Coordinates | 7702081.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H38 B N P2 |
|---|---|
| Calculated formula | C26 H38 B N P2 |
| Title of publication | PNPCB heterocycles via thermal and Lewis acid catalyzed trans-hydroborations. |
| Authors of publication | Fan, Louie; Stephan, Douglas W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 22 |
| Pages of publication | 9229 - 9234 |
| a | 8.9183 ± 0.0005 Å |
| b | 16.6266 ± 0.0008 Å |
| c | 17.4581 ± 0.001 Å |
| α | 90° |
| β | 91.698 ± 0.002° |
| γ | 90° |
| Cell volume | 2587.6 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 149.7 K |
| Number of distinct elements | 5 |
| 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 | 0.0646 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.1146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7702081.cif |
| 234737 | 2019-11-23 | cif/ Adding structures of 7702080, 7702081, 7702082, 7702083, 7702084, 7702085, 7702086 via cif-deposit CGI script. |
7702081.cif |
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Users of the data should acknowledge the original authors of the
structural data.