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Information card for entry 7242816
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Coordinates | 7242816.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H21 Br N2 O2 S |
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Calculated formula | C23 H21 Br N2 O2 S |
Title of publication | Brønsted acid-promoted hydroamination of unsaturated hydrazones: access to biologically important 5-arylpyrazolines |
Authors of publication | He, Han; Xu, Ning; Zhang, Honglin; Chen, Bin; Hu, Zhengnan; Guo, Kang; Chun, Jianlin; Cao, Shujun; Zhu, Yingguang |
Journal of publication | RSC Advances |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 28 |
Pages of publication | 17340 - 17345 |
a | 12.3545 ± 0.0004 Å |
b | 11.999 ± 0.0004 Å |
c | 14.3274 ± 0.0006 Å |
α | 90° |
β | 94.051 ± 0.001° |
γ | 90° |
Cell volume | 2118.61 ± 0.13 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0672 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.1048 |
Weighted residual factors for all reflections included in the refinement | 0.1167 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/7242816.html
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Users of the data should acknowledge the original authors of the
structural data.