Information card for entry 1100180

Structure parameters

• Chemical name: 3,4-Diphenylpentan-2-ol
• Formula: C17 H20 O
• Calculated formula: C17 H20 O
• SMILES: O[C@@H](C)[C@@H]([C@@H](C)c1ccccc1)c1ccccc1
• Title of publication: Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules
• Authors of publication: Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Journal issue: 41
• Pages of publication: 10218 - 10219
• a: 22.864 ± 0.001 Å
• b: 22.864 ± 0.001 Å
• c: 7.229 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3272.75 ų
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 3
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for significantly intense reflections: 4.89
• Weighted residual factors for significantly intense reflections: 4.89
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No