Information card for entry 7017643

Structure parameters

• Formula: C26 H14 F26 N2
• Calculated formula: C26 H14 F26 N2
• SMILES: [C@@H](CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)([C@H](CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccccn1)c1ccccn1
• 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: 5.4351 ± 0.0003 Å
• b: 9.9164 ± 0.0004 Å
• c: 14.5715 ± 0.0006 Å
• α: 83.27 ± 0.004°
• β: 80.137 ± 0.004°
• γ: 86.72 ± 0.004°
• Cell volume: 767.86 ± 0.06 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 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: 0.0446
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No