Information card for entry 7122742

Structure parameters

• Formula: C25 H26 Br N3 O5
• Calculated formula: C25 H26 Br N3 O5
• Title of publication: Enantioselective synthesis of 8-azabicyclo[3.2.1]octanes via asymmetric 1,3-dipolar cycloadditions of cyclic azomethine ylides using a dual catalytic system
• Authors of publication: Suga, Hiroyuki; Yoshiwara, Masahiro; Yamaguchi, Takaaki; Bando, Takashi; Taguchi, Mizuki; Inaba, Ayano; Goto, Yuichi; Kikuchi, Ayaka; Itoh, Kennosuke; Toda, Yasunori
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.436 ± 0.007 Å
• b: 13.238 ± 0.012 Å
• c: 25.73 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2533 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No