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Information card for entry 7115563
Preview
Coordinates | 7115563.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H31 Br2 N O4 S Si |
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Calculated formula | C27 H31 Br2 N O4 S Si |
SMILES | Brc1ccc([C@H](O[Si](C(C)(C)C)(C)C)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2)cc1.Brc1ccc([C@@H](O[Si](C(C)(C)C)(C)C)[C@H](NS(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2)cc1 |
Title of publication | The stereoselective synthesis of alpha-amino aldols starting from terminal alkynes |
Authors of publication | Tomoya Miura; Takayuki Nakamuro; Kentaro Hiraga; Masahiro Murakami |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 10474 |
a | 18.9903 ± 0.0005 Å |
b | 12.146 ± 0.0003 Å |
c | 26.2415 ± 0.0006 Å |
α | 90° |
β | 108.147 ± 0.0007° |
γ | 90° |
Cell volume | 5751.7 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0875 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.132 |
Weighted residual factors for all reflections included in the refinement | 0.186 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7115563.html
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