Information card for entry 4033917

Structure parameters

• Formula: C8 H9 Br F3 N O
• Calculated formula: C8 H9 Br F3 N O
• Title of publication: Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.
• Authors of publication: Lan, Ping; Banwell, Martin G.; Willis, Anthony C.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 6
• Pages of publication: 3431 - 3466
• a: 5.026 ± 0.0003 Å
• b: 7.73 ± 0.0004 Å
• c: 13.7908 ± 0.0008 Å
• α: 101.669 ± 0.003°
• β: 91.92 ± 0.004°
• γ: 107.523 ± 0.004°
• Cell volume: 497.8 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections: 0.1507
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No