Information card for entry 7017644

Structure parameters

• Formula: C28 H20 F22
• Calculated formula: C28 H20 F22
• SMILES: [C@](CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)(C)(c1ccccc1)[C@](CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)(C)c1ccccc1.[C@@](CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)(C)(c1ccccc1)[C@@](CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)(C)c1ccccc1
• Title of publication: Electrochemical nickel-induced fluoroalkylation: synthetic, structural and mechanistic study.
• Authors of publication: Mikhaylov, Dmitry; Gryaznova, Tatyana; Dudkina, Yulia; Khrizanphorov, Mikhail; Latypov, Shamil; Kataeva, Olga; Vicic, David A.; Sinyashin, Oleg G.; Budnikova, Yulia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 165 - 172
• a: 12.266 ± 0.006 Å
• b: 22.489 ± 0.002 Å
• c: 10.538 ± 0.005 Å
• α: 90°
• β: 95.81 ± 0.01°
• γ: 90°
• Cell volume: 2892 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No