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Information card for entry 7129316
Preview
Coordinates | 7129316.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H11 Br F2 N4 O S |
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Calculated formula | C15 H11 Br F2 N4 O S |
Title of publication | Catalytic regioselective construction of phenylthio- and phenoxyldifluoroalkyl tetrazoles from difluorodiazoketones |
Authors of publication | Shi, Hong-Song; Li, Shuo-Han; Zhang, Fa-Guang; Ma, Jun-An |
Journal of publication | Chemical Communications |
Year of publication | 2021 |
a | 15.529 ± 0.001 Å |
b | 10.7691 ± 0.0007 Å |
c | 9.7943 ± 0.0006 Å |
α | 90° |
β | 94.839 ± 0.005° |
γ | 90° |
Cell volume | 1632.1 ± 0.18 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.083 |
Residual factor for significantly intense reflections | 0.0456 |
Weighted residual factors for significantly intense reflections | 0.0923 |
Weighted residual factors for all reflections included in the refinement | 0.1042 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
270880 (current) | 2021-11-26 | cif/ Adding structures of 7129315, 7129316, 7129317 via cif-deposit CGI script. |
7129316.cif |
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Users of the data should acknowledge the original authors of the
structural data.