Information card for entry 7241043

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: 6.0678 ± 0.0006 Å
• b: 16.401 ± 0.002 Å
• c: 11.9151 ± 0.0011 Å
• α: 90°
• β: 98.556 ± 0.007°
• γ: 90°
• Cell volume: 1172.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No