Information card for entry 2232758

Structure parameters

• Chemical name: 2-(2-Benzylphenyl)propan-2-ol
• Formula: C16 H18 O
• Calculated formula: C16 H18 O
• SMILES: OC(C)(C)c1ccccc1Cc1ccccc1
• Title of publication: 2-(2-Benzylphenyl)propan-2-ol
• Authors of publication: Betz, Richard; Gerber, Thomas; Hosten, Eric; Siddaraju, B. P.; Yathirajan, Hemmige S.; Ramesha, A. R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3302
• a: 12.2252 ± 0.0003 Å
• b: 17.2508 ± 0.0004 Å
• c: 16.7784 ± 0.0003 Å
• α: 90°
• β: 132.549 ± 0.001°
• γ: 90°
• Cell volume: 2606.79 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.0691
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes