Information card for entry 7235477

Structure parameters

• Formula: C22 H26 N O4.5
• Calculated formula: C22 H26 N O4.5
• 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: 23.818 ± 0.008 Å
• b: 5.5862 ± 0.0018 Å
• c: 15.671 ± 0.005 Å
• α: 90°
• β: 113.803 ± 0.004°
• γ: 90°
• Cell volume: 1907.7 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No