Information card for entry 7204989

Structure parameters

• Formula: C38 H32 N2
• Calculated formula: C38 H31 N2
• 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: 11.068 ± 0.002 Å
• b: 14.472 ± 0.002 Å
• c: 17.82 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2854.3 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.6892 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No