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Information card for entry 4030694
Preview
Coordinates | 4030694.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H13 Br F3 N O2 S |
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Calculated formula | C12 H13 Br F3 N O2 S |
SMILES | Br[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(cc1)C(F)(F)F.Br[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(cc1)C(F)(F)F |
Title of publication | Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol. |
Authors of publication | Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 5 |
Pages of publication | 2815 - 2821 |
a | 6.9579 ± 0.0004 Å |
b | 10.516 ± 0.0006 Å |
c | 10.5474 ± 0.0006 Å |
α | 65.766 ± 0.002° |
β | 80.838 ± 0.002° |
γ | 77.224 ± 0.002° |
Cell volume | 684.28 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0235 |
Residual factor for significantly intense reflections | 0.0221 |
Weighted residual factors for significantly intense reflections | 0.058 |
Weighted residual factors for all reflections included in the refinement | 0.0587 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4030694.html
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