Information card for entry 2200220

Structure parameters

• Formula: C20 H24 O2 S2
• Calculated formula: C20 H24 O2 S2
• SMILES: S([C@@H](S[C@H]1OCCCC1)[C@@](O)(C)c1ccccc1)c1ccccc1.S([C@H](S[C@@H]1OCCCC1)[C@](O)(C)c1ccccc1)c1ccccc1
• Title of publication: (1<i>S</i>*,2<i>R</i>*,2'<i>R</i>*)-2-Phenyl-1-phenylthio-1-(tetrahydropyran-2-ylthio)propan-2-ol at 193K
• Authors of publication: Kansikas, Jarno; Sipilä, Kaija
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: o335 - o337
• a: 9.244 ± 0.0018 Å
• b: 19.239 ± 0.004 Å
• c: 10.682 ± 0.002 Å
• α: 90°
• β: 93.37 ± 0.03°
• γ: 90°
• Cell volume: 1896.5 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes