Information card for entry 2010407

Structure parameters

• Formula: C18 H16 O3 S
• Calculated formula: C18 H16 O3 S
• SMILES: S(=O)(c1ccc(cc1)C)c1occc1[C@@H](O)c1ccccc1
• Title of publication: (-)-(SS)-α-Phenyl-2-(p-tolylsulfinyl)-3-furanmethanol
• Authors of publication: R. Retoux; L. Girodier; F. Rouessac
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Pages of publication: 146 - 148
• a: 8.2513 ± 0.0008 Å
• b: 10.5006 ± 0.0013 Å
• c: 9.309 ± 0.0008 Å
• α: 90°
• β: 102.849 ± 0.011°
• γ: 90°
• Cell volume: 786.37 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0912
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No