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Information card for entry 1564694
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Coordinates | 1564694.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H33 Cl O3 S |
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Calculated formula | C35 H33 Cl O3 S |
Title of publication | Regiodivergent Sulfonylarylations of 1,3-Enynes via Nickel/Photoredox Dual Catalysis |
Authors of publication | Chen, Ya; Zhu, Kun; Huang, Qingqin; Lu, Yixin |
Journal of publication | Chemical Science |
Year of publication | 2021 |
a | 11.6577 ± 0.0003 Å |
b | 27.6265 ± 0.0008 Å |
c | 10.2389 ± 0.0003 Å |
α | 90° |
β | 113.393 ± 0.001° |
γ | 90° |
Cell volume | 3026.51 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0508 |
Residual factor for significantly intense reflections | 0.0478 |
Weighted residual factors for significantly intense reflections | 0.1256 |
Weighted residual factors for all reflections included in the refinement | 0.1279 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
269217 (current) | 2021-09-21 | cif/ Adding structures of 1564693, 1564694 via cif-deposit CGI script. |
1564694.cif |
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Users of the data should acknowledge the original authors of the
structural data.