Information card for entry 4105356

Structure parameters

• Formula: C30 H30 N2 O4
• Calculated formula: C30 H28 N2 O4
• SMILES: c1c(c2c3c(ccc2)cccc3c2cc(c(O)cc2)/C=N/[C@H](C)CO)ccc(c1/C=N/[C@H](C)CO)O
• 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: 12.0825 ± 0.0008 Å
• b: 12.0825 ± 0.0008 Å
• c: 17.397 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2539.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No