Information card for entry 7205284

Structure parameters

• Common name: N,N'-bis(2,3,4,5,6-pentafluorobenzylidene)-1,4- phenylenediamine
• Chemical name: N,N'-bis(2,3,4,5,6-pentafluorobenzylidene)-1,4-phenylenediamine
• Formula: C20 H6 F10 N2
• Calculated formula: C20 H6 F10 N2
• SMILES: c1(c(c(F)c(c(c1F)F)F)F)/C=N/c1ccc(cc1)/N=C/c1c(c(c(c(c1F)F)F)F)F
• 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: 5.846 ± 0.002 Å
• b: 7.929 ± 0.002 Å
• c: 10.331 ± 0.003 Å
• α: 109.78 ± 0.02°
• β: 102.35 ± 0.03°
• γ: 96.13 ± 0.03°
• Cell volume: 431.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No