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Information card for entry 4128417
Preview
Coordinates | 4128417.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H42 B2 K2 O4 |
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Calculated formula | C28 H42 B2 K2 O4 |
Title of publication | Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts. |
Authors of publication | von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 14 |
Pages of publication | 6082 - 6091 |
a | 14.6657 ± 0.0007 Å |
b | 10.0154 ± 0.0004 Å |
c | 21.2355 ± 0.001 Å |
α | 90° |
β | 102.926 ± 0.004° |
γ | 90° |
Cell volume | 3040.1 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.073 |
Residual factor for significantly intense reflections | 0.0597 |
Weighted residual factors for significantly intense reflections | 0.1597 |
Weighted residual factors for all reflections included in the refinement | 0.1696 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4128417.html
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