Information card for entry 2200978

Structure parameters

• Chemical name: 1-phenyl-2-phenylsulfinyl-cyclobutan-1-ol
• Formula: C16 H16 O2 S
• Calculated formula: C16 H16 O2 S
• SMILES: S(=O)([C@H]1[C@@](O)(CC1)c1ccccc1)c1ccccc1.S(=O)([C@@H]1[C@](O)(CC1)c1ccccc1)c1ccccc1
• Title of publication: 1-Phenyl-2-phenylsulfinylcyclobutan-1-ol
• Authors of publication: Wendy A. Loughlin; Catherine C. Rowen; Zane D. van den Berg; Peter C. Healy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o303 - o305
• a: 10.439 ± 0.002 Å
• b: 17.361 ± 0.003 Å
• c: 15.555 ± 0.002 Å
• α: 90°
• β: 92.74 ± 0.01°
• γ: 90°
• Cell volume: 2815.8 ± 0.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.1296
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes