Information card for entry 4033520

Structure parameters

• Formula: C22 H10 F4
• Calculated formula: C22 H10 F4
• Title of publication: Bridging the Gap between Pentacene and Perfluoropentacene: Synthesis and Characterization of 2,3,9,10-Tetrafluoropentacene in the Neutral, Cationic, and Dicationic States.
• Authors of publication: Shen, Bin; Geiger, Thomas; Einholz, Ralf; Reicherter, Florian; Schundelmeier, Simon; Maichle-Mössmer, Cäcilia; Speiser, Bernd; Bettinger, Holger F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 6
• Pages of publication: 3149 - 3158
• a: 6.7171 ± 0.0008 Å
• b: 7.6452 ± 0.0009 Å
• c: 14.3038 ± 0.0018 Å
• α: 100.606 ± 0.004°
• β: 94.579 ± 0.004°
• γ: 98.384 ± 0.004°
• Cell volume: 709.98 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No