Information card for entry 7158532

Structure parameters

• Chemical name: P1
• Formula: C22 H15 Br F3 N O2 S Se
• Calculated formula: C22 H15 Br F3 N O2 S Se
• Title of publication: An aerobic copper-mediated domino process for the synthesis of 3-(trifluoromethylseleno)indoles.
• Authors of publication: Wang, Hui; Yao, Yunfei; You, Yi; Huang, Yangjie; Weng, Zhiqiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 10
• Pages of publication: 2115 - 2120
• a: 9.0368 ± 0.0004 Å
• b: 9.7879 ± 0.0005 Å
• c: 12.8089 ± 0.0006 Å
• α: 72.001 ± 0.002°
• β: 83.06 ± 0.002°
• γ: 79.877 ± 0.002°
• Cell volume: 1058.06 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No