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Information card for entry 1556642
Preview
| Coordinates | 1556642.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H67 B2 P3 |
|---|---|
| Calculated formula | C50 H67 B2 P3 |
| SMILES | [B@@]12([B@@H]([P](Cc3c2cccc3)(C2CCCCC2)C2CCCCC2)c2ccccc2C[P]1(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1.[B@]12([B@H]([P](Cc3c2cccc3)(C2CCCCC2)C2CCCCC2)c2ccccc2C[P]1(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1 |
| Title of publication | Hydrophosphination of boron‒boron multiple bonds |
| Authors of publication | Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 5 |
| Pages of publication | 1335 - 1341 |
| a | 10.6022 ± 0.0005 Å |
| b | 10.6218 ± 0.0005 Å |
| c | 20.1023 ± 0.001 Å |
| α | 94.418 ± 0.002° |
| β | 99.288 ± 0.002° |
| γ | 100.371 ± 0.002° |
| Cell volume | 2184.47 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257306 (current) | 2020-10-06 | cif/ Updating files of 1556642, 1556643, 1556644, 1556645, 1556646 Original log message: Adding full bibliography for 1556642--1556646.cif. |
1556642.cif |
| 248878 | 2020-03-05 | cif/ Updating files of 1556642, 1556643, 1556644, 1556645, 1556646 Original log message: Adding full bibliography for 1556642--1556646.cif. |
1556642.cif |
| 245362 | 2019-12-19 | cif/ Adding structures of 1556642, 1556643, 1556644, 1556645, 1556646 via cif-deposit CGI script. |
1556642.cif |
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Users of the data should acknowledge the original authors of the
structural data.