Information card for entry 7157384

Structure parameters

• Formula: C26 H25 F3 O4 Se
• Calculated formula: C26 H25 F3 O4 Se
• Title of publication: Controlling the selectivity of an intramolecular Friedel-Crafts alkylation with alkenes using selenium under mild conditions.
• Authors of publication: Liao, Ming-Hong; Zhang, Meng; Hu, Dai-Hui; Zhang, Rui-Han; Zhao, Yan; Liu, Shan-Shan; Li, Yun-Xia; Xiao, Wei-Lie; Tang, E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 21
• Pages of publication: 4034 - 4045
• a: 6.9173 ± 0.0008 Å
• b: 13.9163 ± 0.0016 Å
• c: 14.1631 ± 0.0016 Å
• α: 114.998 ± 0.001°
• β: 94.368 ± 0.001°
• γ: 94.251 ± 0.001°
• Cell volume: 1223.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2602
• Weighted residual factors for all reflections included in the refinement: 0.2805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No