Information card for entry 1555007

Structure parameters

• Formula: C28 H31 F2 N O2
• Calculated formula: C28 H31 F2 N O2
• Title of publication: Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.
• Authors of publication: Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2254 - 2257
• a: 10.4764 ± 0.0005 Å
• b: 10.6867 ± 0.0005 Å
• c: 12.3768 ± 0.0004 Å
• α: 85.757 ± 0.003°
• β: 70.552 ± 0.003°
• γ: 69.477 ± 0.004°
• Cell volume: 1222.26 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections: 0.1558
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9989
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No