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Information card for entry 7112875
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Coordinates | 7112875.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H22 Br N O5 |
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Calculated formula | C18 H22 Br N O5 |
SMILES | Brc1c([C@@H]([C@@]2(C(=O)OCC2)C(=O)C)NC(=O)OC(C)(C)C)cccc1 |
Title of publication | Highly diastereo- and enantioselective Mannich reaction of lactones with N-Boc-aldimines catalyzed by bifunctional rosin-derived amine thiourea catalysts. |
Authors of publication | Jiang, Xianxing; Fu, Dan; Zhang, Gen; Cao, Yiming; Liu, Luping; Song, Jingjing; Wang, Rui |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 24 |
Pages of publication | 4294 - 4296 |
a | 7.241 ± 0.003 Å |
b | 11.071 ± 0.004 Å |
c | 24.144 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1935.5 ± 1.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0725 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0661 |
Weighted residual factors for all reflections included in the refinement | 0.0761 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180242 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28. |
7112875.cif |
112136 | 2014-04-29 | cif/ Adding structures of 7112875 via cif-deposit CGI script. |
7112875.cif |
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Users of the data should acknowledge the original authors of the
structural data.