Information card for entry 4123766

Structure parameters

• Formula: C56 H42 N2 O8
• Calculated formula: C56 H42 N2 O8
• Title of publication: Effect of Molecular Stacking on Exciton Diffusion in Crystalline Organic Semiconductors.
• Authors of publication: Pinto, Rui M.; Maçôas, Ermelinda M S; Neves, Ana I. S.; Raja, Sebastian; Baleizão, Carlos; Santos, Isabel C.; Alves, Helena
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 22
• Pages of publication: 7104 - 7110
• a: 8.3909 ± 0.0003 Å
• b: 16.0715 ± 0.0006 Å
• c: 17.1821 ± 0.0007 Å
• α: 69.335 ± 0.002°
• β: 81.159 ± 0.003°
• γ: 89.378 ± 0.003°
• Cell volume: 2139.88 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1371
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No