Information card for entry 7241042

Structure parameters

• Formula: C41 H32 O2
• Calculated formula: C41 H32 O2
• Title of publication: Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.
• Authors of publication: Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 35
• Pages of publication: 19855 - 19863
• a: 31.5547 ± 0.0016 Å
• b: 6.137 ± 0.0002 Å
• c: 17.2488 ± 0.0009 Å
• α: 90°
• β: 119.126 ± 0.0016°
• γ: 90°
• Cell volume: 2917.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No