Information card for entry 7122945

Structure parameters

• Formula: C13.5 H16 F2 N2 O3
• Calculated formula: C14 H16 F2 N2 O3
• Title of publication: Photocatalytic reductive radical-radical coupling of N, N'-cyclicazomethine imines with difluorobromo derivatives
• Authors of publication: Xia, Peng-Ju; Ye, Zhi-Peng; Song, Dan; Ren, Ji-Wei; Wu, Han-Wen; Xiao, Jun-An; Xiang, Haoyue; Chen, Xiaoqing; Yang, Hua
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.8602 ± 0.0006 Å
• b: 11.4447 ± 0.0006 Å
• c: 9.3074 ± 0.0004 Å
• α: 90°
• β: 101.885 ± 0.001°
• γ: 90°
• Cell volume: 1444.74 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No