Information card for entry 7205046

Structure parameters

• Chemical name: N,N'-diphenyl-N,N'-bis(4,4'-methylphenyl)-[(1,1'-biphenyl)]-4,4'-diamine
• Formula: C38 H32 N2
• Calculated formula: C38 H32 N2
• SMILES: c1(ccc(cc1)c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)C)N(c1ccccc1)c1ccc(cc1)C
• Title of publication: Tetraaryl biphenyl diamine hole transport materials: a structural study utilizing both single crystal and high resolution powder diffraction
• Authors of publication: Kennedy, Alan R.; Smith, W. Ewen; Tackley, Daniel R.; David, William I. F.; Shankland, Kenneth; Brown, Bev; Teat, Simon J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 168
• a: 20.9674 ± 0.0003 Å
• b: 14.5059 ± 0.0002 Å
• c: 10.9862 ± 0.0001 Å
• α: 90°
• β: 117.825 ± 0.002°
• γ: 90°
• Cell volume: 2955.12 ± 0.08 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Goodness-of-fit parameter for all reflections: 3.26
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.80008 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No