Information card for entry 7109825

Structure parameters

• Formula: C20 H13 F3 N2 O2
• Calculated formula: C20 H13 F3 N2 O2
• SMILES: FC(F)(F)c1c(C(=O)c2c(N(=Nc3ccccc3)=O)cccc2)cccc1
• Title of publication: Unprecedented ortho-acylation of azoxybenzenes with alpha-oxocarboxylic acids by Pd-catalyzed C-H activation and decarboxylation
• Authors of publication: Hongji Li; Pinhua Li; Qiong Zhao; Lei Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9170
• a: 7.7008 ± 0.0016 Å
• b: 8.9697 ± 0.0017 Å
• c: 14.19 ± 0.003 Å
• α: 74.227 ± 0.004°
• β: 80.042 ± 0.004°
• γ: 67.803 ± 0.004°
• Cell volume: 870.6 ± 0.3 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: 0.0761
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No