Information card for entry 2240248

Structure parameters

• Chemical name: (-)-(2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-5-(1,3-Dithian-2-yl)-3-methyl-1-(triisopropylsilyloxy)hexane-2,4-diol
• Formula: C20 H42 O3 S2 Si
• Calculated formula: C20 H42 O3 S2 Si
• SMILES: S1C(SCCC1)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Crystal structure of ({-})-(2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-5-(1,3-dithian-2-yl)-3-methyl-1-(triisopropylsilyloxy)hexane-2,4-diol
• Authors of publication: Cruz-Montanez, Alejandra; Piñero Cruz, Dalice M.; Prieto, Jose A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1285 - o1286
• a: 15.9691 ± 0.0004 Å
• b: 8.342 ± 0.0002 Å
• c: 19.1245 ± 0.0005 Å
• α: 90°
• β: 101.253 ± 0.002°
• γ: 90°
• Cell volume: 2498.68 ± 0.11 ų
• Cell temperature: 124 ± 2 K
• Ambient diffraction temperature: 124 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes