Information card for entry 4105357

Structure parameters

• Formula: C30 H30 N2 O4
• Calculated formula: C30 H30 N2 O4
• SMILES: c1(c(O)ccc(c1)c1c2c(ccc1)cccc2c1cc(/C=N/[C@@H](C)CO)c(O)cc1)/C=N/[C@@H](C)CO
• 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: 12.0796 ± 0.0007 Å
• b: 12.0796 ± 0.0007 Å
• c: 17.3913 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2537.7 ± 0.3 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: 0.0351
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No