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Information card for entry 7127886
Preview
| Coordinates | 7127886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H30 B2 N2 Si2 |
|---|---|
| Calculated formula | C14 H30 B2 N2 Si2 |
| 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 | 28.1055 ± 0.0015 Å |
| b | 5.9611 ± 0.0004 Å |
| c | 12.3603 ± 0.0008 Å |
| α | 90° |
| β | 103.971 ± 0.003° |
| γ | 90° |
| Cell volume | 2009.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0422 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| 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. |
7127886.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. |
7127886.cif |
| 261361 | 2021-02-02 | cif/ Adding structures of 7127882, 7127883, 7127884, 7127885, 7127886, 7127887, 7127888, 7127889 via cif-deposit CGI script. |
7127886.cif |
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Users of the data should acknowledge the original authors of the
structural data.