Information card for entry 7109766

Structure parameters

• Formula: C31 H33 N O3
• Calculated formula: C31 H33 N O3
• Title of publication: Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state
• Authors of publication: Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8713
• a: 11.5834 ± 0.0004 Å
• b: 22.5492 ± 0.0007 Å
• c: 11.4549 ± 0.0004 Å
• α: 90°
• β: 120.314 ± 0.002°
• γ: 90°
• Cell volume: 2582.89 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No