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Information card for entry 1504015
Preview
Coordinates | 1504015.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H21 Br N2 O4 S |
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Calculated formula | C23 H21 Br N2 O4 S |
SMILES | Brc1ccc([C@@H]([C@H](C(=C)c2ccccc2)N(=O)=O)NS(=O)(=O)c2ccc(cc2)C)cc1 |
Title of publication | Diastereo- and enantioselective Aza-MBH-type reaction of nitroalkenes to N-tosylimines catalyzed by bifunctional organocatalysts. |
Authors of publication | Wang, Xiao; Chen, Yong-Fei; Niu, Liang-Feng; Xu, Peng-Fei |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 15 |
Pages of publication | 3310 - 3313 |
a | 9.951 ± 0.002 Å |
b | 10.141 ± 0.002 Å |
c | 22.1 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2230.2 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0749 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0604 |
Weighted residual factors for all reflections included in the refinement | 0.0686 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
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/1504015.html
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