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Information card for entry 7113018
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Coordinates | 7113018.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H9 F3 O3 |
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Calculated formula | C13 H9 F3 O3 |
Title of publication | N-heterocyclic carbene catalysed asymmetric cross-benzoin reactions of heteroaromatic aldehydes with trifluoromethyl ketones. |
Authors of publication | Enders, Dieter; Grossmann, André; Fronert, Jeanne; Raabe, Gerhard |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 34 |
Pages of publication | 6282 - 6284 |
a | 7.703 ± 0.0002 Å |
b | 7.9309 ± 0.0002 Å |
c | 20.122 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1229.29 ± 0.05 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.025 |
Residual factor for significantly intense reflections | 0.025 |
Weighted residual factors for all reflections | 0.032 |
Weighted residual factors for all reflections included in the refinement | 0.032 |
Goodness-of-fit parameter for all reflections | 1.022 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7113018.html
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Users of the data should acknowledge the original authors of the
structural data.