Information card for entry 7242715

Structure parameters

• Formula: C52 H36 N2
• Calculated formula: C52 H36 N2
• Title of publication: Effect of the conformer distribution on the properties of amorphous organic semiconductor films for organic light-emitting diodes
• Authors of publication: Sukegawa, Yoshihito; Sato, Kaito; Fujiwara, Wataru; Katagiri, Hiroshi; Yokoyama, Daisuke
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2021
• a: 18.0128 ± 0.001 Å
• b: 27.5447 ± 0.0016 Å
• c: 7.2185 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3581.5 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No