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Information card for entry 7117066
Preview
Coordinates | 7117066.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2-methyl-6-(phenylthio)-N-(quinolin-8-yl)benzamide |
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Formula | C23 H18 N2 O S |
Calculated formula | C23 H18 N2 O S |
SMILES | S(c1c(C(=O)Nc2cccc3cccnc23)c(ccc1)C)c1ccccc1 |
Title of publication | Nickel-catalyzed directed sulfenylation of sp2 and sp3 C-H bonds |
Authors of publication | Xiaohan Ye; Jeffrey L. Petersen; Xiaodong Shi |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 7863 |
a | 16.26 ± 0.0006 Å |
b | 8.0578 ± 0.0003 Å |
c | 16.7298 ± 0.0007 Å |
α | 90° |
β | 118.216 ± 0.001° |
γ | 90° |
Cell volume | 1931.47 ± 0.13 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0692 |
Residual factor for significantly intense reflections | 0.0553 |
Weighted residual factors for significantly intense reflections | 0.1182 |
Weighted residual factors for all reflections included in the refinement | 0.1265 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7117066.html
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