Information card for entry 2016904

Structure parameters

• Chemical name: 3-cyano-4-(2-fluorophenyl)-1,1-diphenyl-2-aza-1,3-butadiene
• Formula: C22 H15 F N2
• Calculated formula: C22 H15 F N2
• SMILES: N#CC(=C/c1ccccc1F)/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: 9.436 ± 0.002 Å
• b: 9.983 ± 0.002 Å
• c: 18.341 ± 0.002 Å
• α: 90°
• β: 92.98 ± 0.01°
• γ: 90°
• Cell volume: 1725.4 ± 0.5 ų
• Cell temperature: 292 K
• Ambient diffraction temperature: 292 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: 0.209
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.072
• Goodness-of-fit parameter for all reflections: 1.569
• Goodness-of-fit parameter for significantly intense reflections: 1.405
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No