Information card for entry 7226042

Structure parameters

• Chemical name: N-methyl-N-(2-oxo-2-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)ethyl)methanesulfonamide
• Formula: C10 H24 N2 O4 S Si2
• Calculated formula: C10 H24 N2 O4 S Si2
• SMILES: S(=O)(=O)(N(C)CC(=O)N1C[Si](O[Si](C1)(C)C)(C)C)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: 15.1089 ± 0.0009 Å
• b: 6.6275 ± 0.0004 Å
• c: 16.4442 ± 0.001 Å
• α: 90°
• β: 98.762 ± 0.001°
• γ: 90°
• Cell volume: 1627.41 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No