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Information card for entry 7127977
Preview
Coordinates | 7127977.cif |
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Original paper (by DOI) | HTML |
Chemical name | 5-methyl-2-phenyl-4-(phenylthio)-1,2-dihydro-3H-pyrazol-3-one |
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Formula | C16 H14 N2 O S |
Calculated formula | C16 H14 N2 O S |
Title of publication | Electrochemical synthesis of versatile ammonium oxides under metal catalyst-, exogenous-oxidant-, and exogenous-electrolyte-free conditions. |
Authors of publication | Yuan, Yong; Li, Liang-Sen; Zhang, Lin; Wang, Feng; Jiang, Lin; Zuo, Lin; Wang, Qi; Hu, Jian-Guo; Lei, Aiwen |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2021 |
Journal volume | 57 |
Journal issue | 22 |
Pages of publication | 2768 - 2771 |
a | 9.6728 ± 0.0006 Å |
b | 6.3539 ± 0.0003 Å |
c | 11.8458 ± 0.0006 Å |
α | 90° |
β | 101.244 ± 0.006° |
γ | 90° |
Cell volume | 714.07 ± 0.07 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0338 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.0744 |
Weighted residual factors for all reflections included in the refinement | 0.0761 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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