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Information card for entry 4133902
Preview
Coordinates | 4133902.cif |
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Original paper (by DOI) | HTML |
Formula | C54.5 H74.5 B Cu F3 N2 O3 Si |
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Calculated formula | C54.503 H74.506 B Cu F3 N2 O3 Si |
Title of publication | Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination. |
Authors of publication | Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 50 |
Pages of publication | 19917 - 19934 |
a | 24.1829 ± 0.0008 Å |
b | 11.061 ± 0.0003 Å |
c | 24.7085 ± 0.0008 Å |
α | 90° |
β | 112.408 ± 0.002° |
γ | 90° |
Cell volume | 6110.2 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0704 |
Residual factor for significantly intense reflections | 0.0643 |
Weighted residual factors for significantly intense reflections | 0.1762 |
Weighted residual factors for all reflections included in the refinement | 0.1825 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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