Information card for entry 4025954

Structure parameters

• Formula: C20 H10 F7 N O6 S4
• Calculated formula: C20 H10 F7 N O6 S4
• Title of publication: Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors
• Authors of publication: Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 154 - 163
• a: 8.6082 ± 0.001 Å
• b: 13.6635 ± 0.0016 Å
• c: 21.298 ± 0.003 Å
• α: 97.782 ± 0.002°
• β: 90.026 ± 0.002°
• γ: 102.338 ± 0.002°
• Cell volume: 2423.5 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1564
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.2239
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No