Information card for entry 1504707

Structure parameters

• Common name: 1,2,3-terphenylbenzene
• Chemical name: 1-(4'-methylphenyl)-2,3-bis(4"-methoxyphenyl)-5-piperidin-1-yl) -benzene-4-carbonitrile
• Formula: C33 H32 N2 O2
• Calculated formula: C33 H32 N2 O2
• SMILES: c1(c(c(c(cc1c1ccc(cc1)C)N1CCCCC1)C#N)c1ccc(cc1)OC)c1ccc(cc1)OC
• Title of publication: Vapor-phase processable novel nonplanar donor-acceptor quateraryls for blue OLEDs(#).
• Authors of publication: Goel, Atul; Dixit, Manish; Chaurasia, Sumit; Kumar, Amit; Raghunandan, Resmi; Maulik, P. R.; Anand, R. S.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 2553 - 2556
• a: 10.822 ± 0.001 Å
• b: 23.126 ± 0.003 Å
• c: 11.615 ± 0.001 Å
• α: 90°
• β: 104.45 ± 0.01°
• γ: 90°
• Cell volume: 2814.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1488
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No