Information card for entry 7124938

Structure parameters

• Formula: C24 H22 F2 N2 O3
• Calculated formula: C24 H22 F2 N2 O3
• Title of publication: Copper-catalyzed difluoromethylation of propargylamide-substituted indoles: synthesis of mono- and bis-difluoromethylated indoloazepinone derivatives.
• Authors of publication: Hua, Hui-Liang; Zhang, Bo-Sheng; He, Yu-Tao; Qiu, Yi-Feng; Hu, Jing-Yuan; Yang, Yu-Chen; Liang, Yong-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 68
• Pages of publication: 10396 - 10399
• a: 12.2175 ± 0.0002 Å
• b: 15.8782 ± 0.0003 Å
• c: 22.0697 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4281.34 ± 0.13 ų
• Cell temperature: 291.48 ± 0.1 K
• Ambient diffraction temperature: 291.48 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No