Information card for entry 7241041

Structure parameters

• Formula: C34 H24 O2
• Calculated formula: C34 H24 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: 10.3715 ± 0.0004 Å
• b: 10.426 ± 0.0003 Å
• c: 12.2917 ± 0.0004 Å
• α: 92.1911 ± 0.0017°
• β: 108.336 ± 0.0017°
• γ: 108.655 ± 0.0017°
• Cell volume: 1181.03 ± 0.07 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No