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Information card for entry 7156720
Preview
Coordinates | 7156720.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H8 F3 N S3 |
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Calculated formula | C16 H8 F3 N S3 |
Title of publication | Direct access to bis-S-heterocycles via copper-catalyzed three component tandem cyclization using S<sub>8</sub> as a sulfur source. |
Authors of publication | Zhou, Peiqi; Huang, Yubing; Wu, Wanqing; Yu, Wentao; Li, Jianxiao; Zhu, Zhongzhi; Jiang, Huanfeng |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 13 |
Pages of publication | 3424 - 3432 |
a | 4.2674 ± 0.0003 Å |
b | 12.9135 ± 0.0008 Å |
c | 13.473 ± 0.0008 Å |
α | 77.893 ± 0.005° |
β | 87.653 ± 0.005° |
γ | 86.789 ± 0.005° |
Cell volume | 724.48 ± 0.08 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0402 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0812 |
Weighted residual factors for all reflections included in the refinement | 0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7156720.html
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Users of the data should acknowledge the original authors of the
structural data.