Information card for entry 8102104

Structure parameters

• Chemical name: N-(2-tert-butyl-5-methyl-4H-1,3-dioxin-4-yl)-2-(trimethylsilyl)- ethanesulfonamide
• Formula: C14 H29 N O4 S Si
• Calculated formula: C14 H29 N O4 S Si
• SMILES: [C@H]1(C(=CO[C@@H](C(C)(C)C)O1)C)NS(=O)(=O)CC[Si](C)(C)C.[C@@H]1(C(=CO[C@H](C(C)(C)C)O1)C)NS(=O)(=O)CC[Si](C)(C)C
• Title of publication: Crystal structure of N-((2R*,4S*)-2-tert-butyl-5-methyl-4H-1,3-dioxin- 4-yl)-2-(trimethylsilyl)ethanesulfonamide, C~14~H~29~NO~4~Si
• Authors of publication: Tatarov, E.; Bruhn, C.; Frauenrath, H.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 2
• Pages of publication: 139 - 140
• a: 35.939 ± 0.002 Å
• b: 10.4219 ± 0.0007 Å
• c: 10.1829 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3814 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No