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Information card for entry 2204621
Preview
Coordinates | 2204621.cif |
---|---|
Structure factors | 2204621.hkl |
Original IUCr paper | HTML |
Chemical name | N-[(1S,2S,3R)-2-Bromo-3-(tert-butyldiphenylsilyloxy)-1-phenyl-4- (phenylsulfonyl)butyl]-4-methylbenzenesulfonamide |
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Formula | C39 H42 Br N O5 S2 Si |
Calculated formula | C39 H42 Br N O5 S2 Si |
SMILES | Br[C@H]([C@@H](c1ccccc1)NS(=O)(=O)c1ccc(cc1)C)[C@H](CS(=O)(=O)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.Br[C@@H]([C@H](c1ccccc1)NS(=O)(=O)c1ccc(cc1)C)[C@@H](CS(=O)(=O)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C |
Title of publication | <i>N</i>-[(1<i>S</i>,2<i>S</i>,3<i>R</i>)-2-Bromo-3-(<i>tert</i>-butyldiphenylsilyloxy)-1-phenyl-4-(phenylsulfonyl)butyl]-4-methylbenzenesulfonamide |
Authors of publication | K. Ravikumar; G. Y. S. K. Swamy; S. Raghavan; Ch. Naveenkumar |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 12 |
Pages of publication | o2290 - o2292 |
a | 13.9704 ± 0.0008 Å |
b | 19.559 ± 0.0012 Å |
c | 14.1646 ± 0.0009 Å |
α | 90° |
β | 96.9 ± 0.001° |
γ | 90° |
Cell volume | 3842.4 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0931 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.1141 |
Weighted residual factors for all reflections included in the refinement | 0.1303 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2204621.html
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