Information card for entry 1507399

Structure parameters

• Formula: C74 H54 O2
• Calculated formula: C74 H54 O2
• Title of publication: Efficient synthesis of a novel, twisted and stable, electroluminescent "twistacene".
• Authors of publication: Duong, Hieu M.; Bendikov, Michael; Steiger, Daniel; Zhang, Qichun; Sonmez, Gursel; Yamada, Jeffrey; Wudl, Fred
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 23
• Pages of publication: 4433 - 4436
• a: 13.153 ± 0.002 Å
• b: 15.005 ± 0.003 Å
• c: 14.196 ± 0.003 Å
• α: 90°
• β: 110.845 ± 0.004°
• γ: 90°
• Cell volume: 2618.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2848
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.2564
• Weighted residual factors for all reflections included in the refinement: 0.3759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No