Information card for entry 7205282

Structure parameters

• Common name: N,N'-(p-phenylenedimethylidyne)bis(2,3,4,5,6- pentafluoroaniline)
• Chemical name: N,N'-(p-phenylenedimethylidyne)bis[2,3,4,5,6-pentafluoroaniline]
• Formula: C20 H6 F10 N2
• Calculated formula: C20 H6 F10 N2
• SMILES: Fc1c(c(c(c(c1F)F)F)F)/N=C/c1ccc(/C=N/c2c(c(c(c(c2F)F)F)F)F)cc1
• 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: 4.871 ± 0.002 Å
• b: 6.398 ± 0.001 Å
• c: 28.42 ± 0.006 Å
• α: 90°
• β: 96.57 ± 0.02°
• γ: 90°
• Cell volume: 879.9 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No