Information card for entry 4038757

Structure parameters

• Formula: C18 H17 Br F N O2
• Calculated formula: C18 H17 Br F N O2
• Title of publication: Ruthenium(II)-Catalyzed α-Fluoroalkenylation of Oxime Ethers with <i>gem</i>-Difluorostyrenes <i>via</i> C-H Activation and C-F Cleavage.
• Authors of publication: Zhang, Lili; Deng, Kezuan; Wu, Gaorong; Yang, Jinyue; Tang, Shibiao; Fu, Xiaopan; Xia, Chengcai; Ji, Yafei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 19
• Pages of publication: 12670 - 12681
• a: 6.8494 ± 0.0004 Å
• b: 10.5416 ± 0.0007 Å
• c: 11.8942 ± 0.0008 Å
• α: 78.408 ± 0.002°
• β: 89.07 ± 0.002°
• γ: 86.152 ± 0.002°
• Cell volume: 839.39 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No