Information card for entry 4102236

Structure parameters

• Formula: C23 H31 N O3
• Calculated formula: C23 H29 N O3
• Title of publication: Enantioselective Polyene Cyclization via Organo-SOMO Catalysis
• Authors of publication: Sebastian Rendler; David W. C. MacMillan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5027 - 5029
• a: 13.0078 ± 0.0003 Å
• b: 6.8941 ± 0.0002 Å
• c: 21.3275 ± 0.0006 Å
• α: 90°
• β: 91.374 ± 0.002°
• γ: 90°
• Cell volume: 1912.04 ± 0.09 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No