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Information card for entry 4514895
Preview
Coordinates | 4514895.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H22 B P |
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Calculated formula | C21 H22 B P |
SMILES | [P](c1ccccc1)(c1ccccc1)([C@H]1[C@H](c2ccccc2)C1)[BH3].[P](c1ccccc1)(c1ccccc1)([C@@H]1[C@@H](c2ccccc2)C1)[BH3] |
Title of publication | Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates |
Authors of publication | Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V. |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Pages of publication | 9764 |
a | 10.8454 ± 0.0002 Å |
b | 15.0719 ± 0.0003 Å |
c | 21.848 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3571.29 ± 0.12 Å3 |
Cell temperature | 98 ± 2 K |
Ambient diffraction temperature | 98 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0424 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.0954 |
Weighted residual factors for all reflections included in the refinement | 0.0957 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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