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Information card for entry 7160205
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Coordinates | 7160205.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H13 F3 N2 S |
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Calculated formula | C13 H13 F3 N2 S |
Title of publication | Silver-mediated radical cascade trifluoromethylthiolation/cyclization of benzimidazole derivatives with AgSCF<sub>3</sub>. |
Authors of publication | Liu, Pan; Geng, Yang; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2024 |
a | 6.5464 ± 0.0004 Å |
b | 13.7584 ± 0.0008 Å |
c | 16.2007 ± 0.001 Å |
α | 67.284 ± 0.006° |
β | 85.636 ± 0.005° |
γ | 87.696 ± 0.005° |
Cell volume | 1341.98 ± 0.15 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.133 |
Residual factor for significantly intense reflections | 0.1078 |
Weighted residual factors for significantly intense reflections | 0.3296 |
Weighted residual factors for all reflections included in the refinement | 0.3717 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
295769 (current) | 2024-11-05 | cif/ Adding structures of 7160205 via cif-deposit CGI script. |
7160205.cif |
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