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Information card for entry 7127887
Preview
| Coordinates | 7127887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H14 B2 N2 |
|---|---|
| Calculated formula | C8 H14 B2 N2 |
| Title of publication | Dialkynyldiboranes(4) and the selectable reactivity of their C-H, C[triple bond, length as m-dash]C and B-B bonds. |
| Authors of publication | Schorr, Fabian; Fantuzzi, Felipe; Dewhurst, Rian D.; Braunschweig, Holger |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 21 |
| Pages of publication | 2645 - 2648 |
| a | 13.8008 ± 0.0009 Å |
| b | 6.3504 ± 0.0004 Å |
| c | 12.1141 ± 0.0007 Å |
| α | 90° |
| β | 90.588 ± 0.003° |
| γ | 90° |
| Cell volume | 1061.63 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.1027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7127887.cif |
| 263662 | 2021-04-05 | cif/ Updating files of 7127882, 7127883, 7127884, 7127885, 7127886, 7127887, 7127888, 7127889 Original log message: Adding full bibliography for 7127882--7127889.cif. |
7127887.cif |
| 261361 | 2021-02-02 | cif/ Adding structures of 7127882, 7127883, 7127884, 7127885, 7127886, 7127887, 7127888, 7127889 via cif-deposit CGI script. |
7127887.cif |
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Users of the data should acknowledge the original authors of the
structural data.