Information card for entry 4125476

Structure parameters

• Formula: C27 H36 Br N3 O6
• Calculated formula: C27 H36 Br N3 O6
• Title of publication: Ir-Catalyzed Asymmetric Total Synthesis of (-)-Communesin F.
• Authors of publication: Liang, Xiao; Zhang, Tian-Yuan; Zeng, Xue-Yi; Zheng, Yu; Wei, Kun; Yang, Yu-Rong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 9
• Pages of publication: 3364 - 3367
• a: 32.039 ± 0.006 Å
• b: 8.102 ± 0.0014 Å
• c: 10.3858 ± 0.0018 Å
• α: 90°
• β: 101.971 ± 0.003°
• γ: 90°
• Cell volume: 2637.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No