Information card for entry 7704448

Structure parameters

• Formula: C19 H12 F9 N
• Calculated formula: C19 H12 F9 N
• SMILES: FC(F)(c1c(n(c2c1cccc2)C)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
• Title of publication: Electrocatalytic reactivity of imine/oxime-type cobalt complex for direct perfluoroalkylation of indole and aniline derivatives.
• Authors of publication: Cui, Luxia; Ono, Toshikazu; Morita, Yoshitsugu; Hisaeda, Yoshio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 7546 - 7551
• a: 8.7352 ± 0.001 Å
• b: 9.9728 ± 0.0011 Å
• c: 11.1879 ± 0.0016 Å
• α: 89.774 ± 0.011°
• β: 74.116 ± 0.011°
• γ: 68.544 ± 0.011°
• Cell volume: 867.4 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No