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Information card for entry 1504122
Preview
Coordinates | 1504122.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H21 Br N O4 S |
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Calculated formula | C23 H21 Br N O4 S |
SMILES | BrC(C(C(=O)c1ccc(cc1)OC)=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 |
Title of publication | Silicon powder: the first nonmetal elemental catalyst for aminobromination of olefins with TsNH(2) and NBS. |
Authors of publication | Wei, Jun-Fa; Chen, Zhan-Guo; Lei, Wei; Zhang, Li-Hui; Wang, Ming-Zheng; Shi, Xian-Ying; Li, Run-Tao |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 18 |
Pages of publication | 4216 - 4219 |
a | 10.503 ± 0.002 Å |
b | 11.062 ± 0.002 Å |
c | 12.012 ± 0.002 Å |
α | 91.99 ± 0.03° |
β | 112.83 ± 0.03° |
γ | 116.73 ± 0.03° |
Cell volume | 1111.1 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0406 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0855 |
Weighted residual factors for all reflections included in the refinement | 0.0909 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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