Information card for entry 7153066

Structure parameters

• Formula: C66.5 H30.5 Cl7.5 F12 N4
• Calculated formula: C66.5 H30.5 Cl7.5 F12 N4
• Title of publication: TCNQ-embedded heptacene and nonacene: synthesis, characterization and physical properties.
• Authors of publication: Ye, Qun; Chang, Jingjing; Huang, Kuo-Wei; Dai, Gaole; Chi, Chunyan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 37
• Pages of publication: 6285 - 6291
• a: 13.0937 ± 0.0014 Å
• b: 15.1874 ± 0.0017 Å
• c: 30.448 ± 0.003 Å
• α: 90°
• β: 98.319 ± 0.003°
• γ: 90°
• Cell volume: 5991.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0973
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No