Information card for entry 1553106

Structure parameters

• Formula: C33 H30 Br N O5
• Calculated formula: C33 H30 Br N O5
• Title of publication: Enantioselective synthesis of 4,5,6,7-tetrahydroindoles via olefin cross-metathesis/intramolecular Friedel‒Crafts alkylation reaction of pyrroles
• Authors of publication: Zhang, Jun-Wei; Liu, Xiao-Wei; Gu, Qing; Shi, Xiao-Xin; You, Shu-Li
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 476
• a: 15.713 ± 0.012 Å
• b: 28.08 ± 0.02 Å
• c: 28.507 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12578 ± 15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No