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Information card for entry 4129854
Preview
Coordinates | 4129854.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C59.88 H52.33 Cu F9 N2 O2.38 P3 |
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Calculated formula | C59.882 H52.329 Cu F9 N2 O2.382 P3 |
Title of publication | Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides. |
Authors of publication | Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 50 |
Pages of publication | 15929 - 15939 |
a | 18.2815 ± 0.0003 Å |
b | 18.3875 ± 0.0003 Å |
c | 33.1185 ± 0.0006 Å |
α | 90° |
β | 96.477 ± 0.007° |
γ | 90° |
Cell volume | 11061.8 ± 0.4 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 7 |
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 | 0.0988 |
Residual factor for significantly intense reflections | 0.0747 |
Weighted residual factors for significantly intense reflections | 0.2173 |
Weighted residual factors for all reflections included in the refinement | 0.2349 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4129854.html
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