Information card for entry 2016905

Structure parameters

• Chemical name: 3-cyano-4-(4-fluorophenyl)-1,1-diphenyl-2-aza-1,3-butadiene
• Formula: C22 H15 F N2
• Calculated formula: C22 H15 F N2
• SMILES: N#CC(=C/c1ccc(cc1)F)/N=C(c1ccccc1)c1ccccc1
• Title of publication: Structures of 1,1-diphenyl-2-aza-1,3-butadienes. II. 3-Cyano-4-(<i>n</i>-fluorophenyl)-1,1-diphenyl-2-aza-1,3-butadienes (<i>n</i> = 2, 4)
• Authors of publication: Macíček, J.; Angelova, O.; Dryanska, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1818 - 1821
• a: 18.505 ± 0.005 Å
• b: 10.077 ± 0.003 Å
• c: 20.153 ± 0.008 Å
• α: 90°
• β: 111.367°
• γ: 90°
• Cell volume: 3500 ± 2 ų
• Cell temperature: 292 K
• Ambient diffraction temperature: 292 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.467
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections: 0.206
• Weighted residual factors for significantly intense reflections: 0.029
• Goodness-of-fit parameter for all reflections: 6.971
• Goodness-of-fit parameter for significantly intense reflections: 1.387
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No