Information card for entry 7152300

Structure parameters

• Formula: C22 H24 Br N O6
• Calculated formula: C22 H26 Br N O6
• Title of publication: Highly enantioselective [4 + 2] cycloadditions of allenoates and dual activated olefins catalyzed by N-acyl aminophosphines.
• Authors of publication: Xiao, Hua; Chai, Zhuo; Cao, Dongdong; Wang, Hongyu; Chen, Jinghao; Zhao, Gang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 16
• Pages of publication: 3195 - 3201
• a: 8.107 ± 0.0011 Å
• b: 12.105 ± 0.0016 Å
• c: 11.6138 ± 0.0016 Å
• α: 90°
• β: 101.055 ± 0.002°
• γ: 90°
• Cell volume: 1118.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No