Information card for entry 2215838

Structure parameters

• Chemical name: 4-(4-Allyl-2-methoxyphenoxy)benzene-1,2-dicarbonitrile
• Formula: C18 H14 N2 O2
• Calculated formula: C18 H14 N2 O2
• SMILES: C=CCc1ccc(c(c1)OC)Oc1ccc(c(c1)C#N)C#N
• Title of publication: 4-(4-Allyl-2-methoxyphenoxy)benzene-1,2-dicarbonitrile
• Authors of publication: S̨ahin, Onur; Büyükgüngör, Orhan; S̨as̨maz, Selami; Kantar, Cihan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4205 - o4205
• a: 14.7784 ± 0.0013 Å
• b: 11.9726 ± 0.0009 Å
• c: 8.6133 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1524 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes