Information card for entry 4515545

Structure parameters

• Formula: C12 H14 F3 N O
• Calculated formula: C12 H14 F3 N O
• SMILES: C(CCC(c1ccccc1)NC(=O)C)(F)(F)F
• Title of publication: Strongly Reducing (Diarylamino)anthracene Catalyst for Metal-Free Visible-Light Photocatalytic Fluoroalkylation
• Authors of publication: Noto, Naoki; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 9408
• a: 8.8458 ± 0.0013 Å
• b: 14.526 ± 0.002 Å
• c: 9.5388 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1225.7 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No