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Information card for entry 1552250
Preview
Coordinates | 1552250.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H24 Cl N O2 |
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Calculated formula | C30 H24 Cl N O2 |
SMILES | Clc1ccc(C(=O)/C(=C(C(=O)N(c2ccccc2)c2ccccc2)\CC)c2ccccc2)cc1 |
Title of publication | Highly Stereoselective Nickel-Catalyzed Difluoroalkylation of Aryl Ketones to Tetrasubstituted Monofluoroalkenes and Quaternary Alkyl Difluorides |
Authors of publication | Li, Chao; Cao, Yi-Xuan; Jin, Ruoxing; Bian, Kang-Jie; Qin, Zi-Yang; Lan, Quan; Wang, Xi-Sheng |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 18.3331 ± 0.0003 Å |
b | 14.0402 ± 0.0002 Å |
c | 20.1069 ± 0.0003 Å |
α | 90° |
β | 107.894 ± 0.002° |
γ | 90° |
Cell volume | 4925.17 ± 0.14 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0607 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1569 |
Weighted residual factors for all reflections included in the refinement | 0.1635 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 1.54184 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/1552250.html
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