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Information card for entry 1502572
Preview
Coordinates | 1502572.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H25 Br N2 O4 S |
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Calculated formula | C17 H25 Br N2 O4 S |
SMILES | Br[C@@H]([C@]1(N(S(=O)(=O)c2ccc(N(=O)=O)cc2)CCC1)C)CCCCC |
Title of publication | Enantioselective bromocyclization of olefins catalyzed by chiral phosphoric acid. |
Authors of publication | Huang, Deshun; Wang, Haining; Xue, Fazhen; Guan, Huan; Li, Lijun; Peng, Xianyou; Shi, Yian |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 24 |
Pages of publication | 6350 - 6353 |
a | 6.9024 ± 0.0014 Å |
b | 7.5807 ± 0.0015 Å |
c | 18.512 ± 0.004 Å |
α | 90° |
β | 91.49 ± 0.03° |
γ | 90° |
Cell volume | 968.3 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0423 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.0851 |
Weighted residual factors for all reflections included in the refinement | 0.087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/1502572.html
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