Information card for entry 2241361

Structure parameters

• Common name: <i>cis</i>-2-Amino-1,2-diphenylethanol
• Chemical name: <i>cis</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: Crystal structure of racemic <i>cis</i>-2-amino-1,2-diphenylethanol (ADE)
• Authors of publication: Fujii, Isao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1539 - 1541
• a: 16.7752 ± 0.0017 Å
• b: 5.7573 ± 0.001 Å
• c: 12.2887 ± 0.0013 Å
• α: 90°
• β: 105.68 ± 0.007°
• γ: 90°
• Cell volume: 1142.7 ± 0.3 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes