Information card for entry 2233394

Structure parameters

• Chemical name: <i>rac</i>-2-Amino-1,2-diphenylethanol
• Formula: C14 H15 N O
• Calculated formula: C14 H15 N O
• SMILES: O[C@H]([C@@H](N)c1ccccc1)c1ccccc1.O[C@@H]([C@H](N)c1ccccc1)c1ccccc1
• Title of publication: <i>rac</i>-2-Amino-1,2-diphenylethanol
• Authors of publication: Bari, Ahmed; Al-Obaid, Abdulrahman M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o491
• a: 26.6096 ± 0.0006 Å
• b: 5.3869 ± 0.0001 Å
• c: 17.1043 ± 0.0004 Å
• α: 90°
• β: 114.689 ± 0.003°
• γ: 90°
• Cell volume: 2227.66 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes