Information card for entry 1506701

Structure parameters

• Formula: C22 H26 O S2
• Calculated formula: C22 H26 O S2
• SMILES: S1C(SCCC1)([C@H]1[C@@H]([C@H](O)c2ccccc2)[C@@H]1c1ccccc1)CC
• Title of publication: Highly diastereoselective formation of 1,2,3-trisubstituted cyclopropane derivatives.
• Authors of publication: Xie, Xingang; Yue, Guoren; Tang, Shouchu; Huo, Xing; Liang, Qiren; She, Xuegong; Pan, Xinfu
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 18
• Pages of publication: 4057 - 4059
• a: 6.604 ± 0.001 Å
• b: 15.346 ± 0.002 Å
• c: 19.811 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2007.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No