Information card for entry 7119655

Structure parameters

• Formula: C16 H14 F3 N3 O2
• Calculated formula: C16 H14 F3 N3 O2
• SMILES: FC(F)(F)CC(/N=N/c1ccc(N(=O)=O)cc1)Cc1ccccc1
• Title of publication: Visible-light-induced photocatalytic azotrifluoromethylation of alkenes with aryldiazonium salts and sodium triflinate
• Authors of publication: Xing-Long Yu; Jia-Rong Chen; Dong-Zhen Chen; Wen-Jing Xiao
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 8275
• a: 10.013 ± 0.002 Å
• b: 7.5562 ± 0.0016 Å
• c: 21.159 ± 0.005 Å
• α: 90°
• β: 93.102 ± 0.003°
• γ: 90°
• Cell volume: 1598.5 ± 0.6 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0836
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No