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Information card for entry 7160131
Preview
Coordinates | 7160131.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H12 Br N O2 |
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Calculated formula | C14 H12 Br N O2 |
Title of publication | Regioselective synthesis of 2-aminophenols from <i>N</i>-arylhydroxylamines. |
Authors of publication | Gao, Zhiwei; Hou, Zhiguo; Gao, Hongyin |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2024 |
Journal volume | 22 |
Journal issue | 38 |
Pages of publication | 7801 - 7805 |
a | 9.9951 ± 0.001 Å |
b | 17.872 ± 0.002 Å |
c | 8.3591 ± 0.0009 Å |
α | 90° |
β | 122.348 ± 0.005° |
γ | 90° |
Cell volume | 1261.5 ± 0.2 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0661 |
Residual factor for significantly intense reflections | 0.0656 |
Weighted residual factors for significantly intense reflections | 0.1406 |
Weighted residual factors for all reflections included in the refinement | 0.1415 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
295341 (current) | 2024-10-06 | cif/ Updating files of 7160131 Original log message: Adding full bibliography for 7160131.cif. |
7160131.cif |
294386 | 2024-09-05 | cif/ Adding structures of 7160131 via cif-deposit CGI script. |
7160131.cif |
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