Information card for entry 4105358

Structure parameters

• Formula: C32 H34 N2 O4
• Calculated formula: C32 H34 N2 O4
• SMILES: c1cc(O)c(/C=N/[C@H](CO)CC)cc1c1c2c(ccc1)cccc2c1ccc(O)c(/C=N/[C@H](CO)CC)c1
• Title of publication: Chiral Amplification with a Stereodynamic Triaryl Probe: Assignment of the Absolute Configuration and Enantiomeric Excess of Amino Alcohols
• Authors of publication: Marwan W. Ghosn; Christian Wolf
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16360 - 16361
• a: 12.3733 ± 0.0013 Å
• b: 12.3733 ± 0.0013 Å
• c: 17.4603 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2673.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No