Information card for entry 1100179

Structure parameters

• Chemical name: 3,4-Diphenylhexan-2-ol
• Formula: C18 H22 O
• Calculated formula: C18 H22 O
• SMILES: O[C@H]([C@H](c1ccccc1)[C@H](c1ccccc1)CC)C
• 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: 23.056 ± 0.001 Å
• b: 23.056 ± 0.001 Å
• c: 7.325 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3372.15 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: 3.05
• Weighted residual factors for significantly intense reflections: 3.05
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No