Information card for entry 7129588

Structure parameters

• Common name: (2R,3S)-3-(benzylamino)-1-phenylhex-5-en-2-ol
• Formula: C19 H23 N O
• Calculated formula: C19 H23 N O
• Title of publication: Synthesis of syn- and enantioenriched anti--amino alcohols by highly diastereoselective borono-Mannich allylation reactions
• Authors of publication: Pyne, Stephen G.; Chevis, Philip; Promchai, Thanika; Richardson, Christopher; Limtharakul, Thunwadee
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 4.8974 ± 0.0001 Å
• b: 10.1935 ± 0.0003 Å
• c: 32.6734 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1631.11 ± 0.08 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No