Information card for entry 2233052

Structure parameters

• Chemical name: (<i>E</i>,<i>E</i>)-<i>N</i>^1^-(2,3,4,5,6-Pentafluorobenzylidene)- <i>N</i>^4^-(3,4,5-trimethoxybenzylidene)benzene-1,4-diamine
• Formula: C23 H17 F5 N2 O3
• Calculated formula: C23 H17 F5 N2 O3
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)/C=N/c1ccc(cc1)/N=C/c1cc(c(c(c1)OC)OC)OC
• Title of publication: (<i>E</i>,<i>E</i>)-<i>N</i>^1^-(2,3,4,5,6-Pentafluorobenzylidene)-<i>N</i>^4^-(3,4,5-trimethoxybenzylidene)benzene-1,4-diamine
• Authors of publication: Collas, Alain; Blockhuys, Frank
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3397 - o3398
• a: 7.131 ± 0.002 Å
• b: 11.749 ± 0.003 Å
• c: 12.654 ± 0.003 Å
• α: 83.85 ± 0.02°
• β: 83.12 ± 0.02°
• γ: 89.5 ± 0.02°
• Cell volume: 1046.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes