Information card for entry 7215986

Structure parameters

• Formula: C27 H30 N2 O2
• Calculated formula: C27 H30 N2 O2
• SMILES: O(c1ccc(c2nc(OC)cc(c3ccc(C#N)cc3)c2)cc1)CCCCCCCC
• Title of publication: New 4-(2-(4-alkoxyphenyl)-6-methoxypyridin-4-yl)benzonitriles: synthesis, liquid crystalline behavior and photo physical properties
• Authors of publication: Ahipa, T. N.; Kumar, Vijith; Shankar Rao, D. S.; Prasad, Subbarao Krishna; Adhikari, Airody Vasudeva
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 5573
• a: 8.1481 ± 0.0003 Å
• b: 10.7263 ± 0.0003 Å
• c: 13.4085 ± 0.0004 Å
• α: 86.933 ± 0.002°
• β: 84.68 ± 0.003°
• γ: 81.508 ± 0.003°
• Cell volume: 1153.1 ± 0.06 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No