Information card for entry 7235476

Structure parameters

• Formula: C16 H27 N O
• Calculated formula: C16 H27 N O
• Title of publication: Direct enantioseparation of 1-(2-hydroxyphenyl) ethylamines via diastereomeric salt formation: chiral recognition mechanism based on the crystal structure
• Authors of publication: Kodama, Koichi; Hayashi, Naoki; Fujita, Mikidai; Hirose, Takuji
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 49
• Pages of publication: 25609
• a: 15.4268 ± 0.0018 Å
• b: 9.5663 ± 0.0011 Å
• c: 11.1965 ± 0.0013 Å
• α: 90°
• β: 105.977 ± 0.001°
• γ: 90°
• Cell volume: 1588.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0828
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No