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Information card for entry 4517858
Preview
Coordinates | 4517858.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H21 N3 O2 S |
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Calculated formula | C26 H21 N3 O2 S |
Title of publication | Direct Carbon‒Carbon σ Bond Amination of Unstrained Arylalkylketones |
Authors of publication | Hu, Xinwei; Shao, Youxiang; Xie, Haisheng; Chen, Xin; Chen, Fengjuan; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei |
Journal of publication | ACS Catalysis |
Year of publication | 2020 |
Pages of publication | 8402 - 8408 |
a | 19.925 ± 0.004 Å |
b | 10.806 ± 0.002 Å |
c | 20.27 ± 0.004 Å |
α | 90° |
β | 92.45 ± 0.03° |
γ | 90° |
Cell volume | 4360.3 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0525 |
Residual factor for significantly intense reflections | 0.0471 |
Weighted residual factors for significantly intense reflections | 0.1234 |
Weighted residual factors for all reflections included in the refinement | 0.1295 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
257031 (current) | 2020-10-04 | cif/ Updating files of 4517857, 4517858 Original log message: Adding full bibliography for 4517857--4517858.cif. |
4517858.cif |
254401 | 2020-07-19 | cif/ Adding structures of 4517858 via cif-deposit CGI script. |
4517858.cif |
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