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Information card for entry 7156777
Preview
Coordinates | 7156777.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4.21 H3.79 F0.63 N0.21 O0.21 |
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Calculated formula | C4.21053 H3.78947 F0.631579 N0.210526 O0.210526 |
Title of publication | Catalyst-free and selective trifluoromethylative cyclization of acryloanilides using PhICF<sub>3</sub>Cl. |
Authors of publication | Guo, Jia; Xu, Cong; Wang, Ling; Huang, Wanqiao; Wang, Mang |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 18 |
Pages of publication | 4593 - 4599 |
a | 8.1844 ± 0.0009 Å |
b | 24.475 ± 0.003 Å |
c | 8.6835 ± 0.0009 Å |
α | 90° |
β | 106.736 ± 0.006° |
γ | 90° |
Cell volume | 1665.7 ± 0.3 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294.21 K |
Number of distinct elements | 5 |
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 | 0.0664 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.1199 |
Weighted residual factors for all reflections included in the refinement | 0.128 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
225243 (current) | 2019-11-08 | cif/ Updating files of 7156777 Original log message: Adding full bibliography for 7156777.cif. |
7156777.cif |
214578 | 2019-04-10 | cif/ Adding structures of 7156777 via cif-deposit CGI script. |
7156777.cif |
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