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Information card for entry 7226043
Preview
Coordinates | 7226043.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (S)-N,N-bis((fluorodimethylsilyl)methyl)-1-(methylsulfonyl)pyrrolidine-2-carboxamide |
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Formula | C12 H26 F2 N2 O3 S Si2 |
Calculated formula | C12 H26 F2 N2 O3 S Si2 |
SMILES | S(=O)(=O)(N1[C@H](C2=[O][Si](F)(C)(C)CN2C[Si](F)(C)C)CCC1)C |
Title of publication | N, N-bis-(dimethylfluorosilylmethyl)amides of N-organosulfonylproline and sarcosine: synthesis, structure, stereodynamic behaviour and in silico studies |
Authors of publication | Nikolin, Alexey Aleksandrovich; Kramarova, Eugenia; Shipov, Aleksander; Baukov, Yuri; Negrebetsky, Vadim V.; Dmitry, Arkhipov E.; Korlyukov, Aleksander; Lagunin, Alexey; Bylikin, Sergey; Bassindale, Alan R.; Taylor, P. G. |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 13.0441 ± 0.0009 Å |
b | 15.9282 ± 0.0011 Å |
c | 18.298 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3801.8 ± 0.5 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 7 |
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 | 0.0336 |
Residual factor for significantly intense reflections | 0.0266 |
Weighted residual factors for significantly intense reflections | 0.0655 |
Weighted residual factors for all reflections included in the refinement | 0.0698 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
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/7226043.html
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