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Information card for entry 1567630
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Coordinates | 1567630.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H13 F2 N O |
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Calculated formula | C22 H13 F2 N O |
Title of publication | Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles. |
Authors of publication | Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang |
Journal of publication | Chemical science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 39 |
Pages of publication | 11594 - 11599 |
a | 24.1916 ± 0.0017 Å |
b | 9.9649 ± 0.0005 Å |
c | 14.5436 ± 0.0011 Å |
α | 90° |
β | 112.784 ± 0.003° |
γ | 90° |
Cell volume | 3232.4 ± 0.4 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0563 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.1029 |
Weighted residual factors for all reflections included in the refinement | 0.1139 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1567630.html
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Users of the data should acknowledge the original authors of the
structural data.