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Information card for entry 7702080
Preview
| Coordinates | 7702080.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H40 B N P2 |
|---|---|
| Calculated formula | C22 H40 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 | 16.6512 ± 0.0013 Å |
| b | 8.7599 ± 0.0005 Å |
| c | 32.962 ± 0.002 Å |
| α | 90° |
| β | 97.279 ± 0.006° |
| γ | 90° |
| Cell volume | 4769.2 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 149.71 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0806 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.1124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0318 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7702080.cif |
| 234737 | 2019-11-23 | cif/ Adding structures of 7702080, 7702081, 7702082, 7702083, 7702084, 7702085, 7702086 via cif-deposit CGI script. |
7702080.cif |
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Users of the data should acknowledge the original authors of the
structural data.