Information card for entry 7124846

Structure parameters

• Formula: C42 H40 Br2 N2 O6
• Calculated formula: C42 H40 Br2 N2 O6
• Title of publication: Asymmetric synthesis of bicyclic dihydropyrans via organocatalytic inverse-electron-demand oxo-Diels-Alder reactions of enolizable aliphatic aldehydes.
• Authors of publication: Li, Jun-Long; Yang, Kai-Chuan; Li, Yi; Li, Qiang; Zhu, Hong-Ping; Han, Bo; Peng, Cheng; Zhi, Yong-Gang; Gou, Xiao-Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 70
• Pages of publication: 10617 - 10620
• a: 9.5936 ± 0.0004 Å
• b: 17.0134 ± 0.0007 Å
• c: 12.402 ± 0.0005 Å
• α: 90°
• β: 111.095 ± 0.005°
• γ: 90°
• Cell volume: 1888.6 ± 0.15 ų
• Cell temperature: 292.71 ± 0.1 K
• Ambient diffraction temperature: 292.71 ± 0.1 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: 0.0616
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No