Information card for entry 7155267

Structure parameters

• Chemical name: (R)-(4-Chlorophenyl)(4-(pentafluorosulfanyl)phenyl)methanol
• Formula: C13 H10 Cl F5 O S
• Calculated formula: C13 H10 Cl F5 O S
• SMILES: Clc1ccc([C@H](O)c2ccc(S(F)(F)(F)(F)F)cc2)cc1
• Title of publication: Racemic and enantioselective metal-catalyzed synthesis of SF5-containing diarylmethanols.
• Authors of publication: Desroches, Justine; Tremblay, Ariane; Paquin, Jean-François
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 37
• Pages of publication: 8764 - 8780
• a: 5.1495 ± 0.0002 Å
• b: 9.3429 ± 0.0003 Å
• c: 27.7278 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1334.02 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0196
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No