Information card for entry 1503879

Structure parameters

• Formula: C15 H27 N O2 S2
• Calculated formula: C15 H27 N O2 S2
• SMILES: S1C[C@@H](N(C1=S)C(=O)[C@H](C)[C@@](OC)(C)C(C)C)C(C)C
• Title of publication: New approach to the stereoselective synthesis of tertiary methyl ethers.
• Authors of publication: Checa, Begoña; Gálvez, Erik; Parelló, Ricard; Sau, Miriam; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè; Solans, Xavier
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2193 - 2196
• a: 19.68 ± 0.002 Å
• b: 6.923 ± 0.003 Å
• c: 15.753 ± 0.002 Å
• α: 90°
• β: 125.7 ± 0.02°
• γ: 90°
• Cell volume: 1742.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No