Information card for entry 7235478

Structure parameters

• Formula: C21 H34 N2 O4
• Calculated formula: C21 H33.5 N2 O4
• 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: 16.749 ± 0.004 Å
• b: 8.124 ± 0.002 Å
• c: 17.552 ± 0.004 Å
• α: 90°
• β: 116.504 ± 0.003°
• γ: 90°
• Cell volume: 2137.3 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No