Information card for entry 8102105

Structure parameters

• Formula: C14 H29 N O5 S Si
• Calculated formula: C14 H29 N O5 S Si
• SMILES: [C@]1(CO[C@H](C(C)C)N1S(CC[Si](C)(C)C)(=O)=O)(C)C(=O)OC.[C@@]1(CO[C@@H](C(C)C)N1S(CC[Si](C)(C)C)(=O)=O)(C)C(=O)OC
• Title of publication: Crystal structure of (2R*,4S*)-methyl 2-isopropyl-4-methyl-3-(2- (trimethylsilyl)ethylsulfonyl)-1,3-oxazolidine-4-carboxylate, C~14~H~29~NO~5~SSi
• 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: 141 - 142
• a: 6.13 ± 0.0006 Å
• b: 11.2647 ± 0.0012 Å
• c: 15.1974 ± 0.0017 Å
• α: 107.647 ± 0.008°
• β: 95.494 ± 0.009°
• γ: 102.445 ± 0.008°
• Cell volume: 961.8 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1464
• 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