Information card for entry 7205283

Structure parameters

• Common name: Bis(2,3,4,5,6-pentafluorostyryl)-2,5-pyrazine
• Chemical name: Bis(2,3,4,5,6-pentafluorostyryl)-2,5-pyrazine
• Formula: C20 H6 F10 N2
• Calculated formula: C20 H6 F10 N2
• SMILES: c1(c(F)c(c(c(c1F)F)F)F)/C=C/c1ncc(/C=C/c2c(c(c(c(c2F)F)F)F)F)nc1
• Title of publication: Activation and de-activation of fluorine synthons by nitrogen substitution in fluorinated aza-distyrylbenzenes
• Authors of publication: Collas, Alain; De Borger, Roeland; Amanova, Tatyana; Blockhuys, Frank
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 702
• a: 6.223 ± 0.002 Å
• b: 5.907 ± 0.001 Å
• c: 24.427 ± 0.008 Å
• α: 90°
• β: 103.8 ± 0.03°
• γ: 90°
• Cell volume: 872 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1477
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No