Information card for entry 7151135

Structure parameters

• Formula: C20 F8 I2 O2
• Calculated formula: C20 F8 I2 O2
• SMILES: c1(c2c(c(F)c(c1F)F)c1c(c2=O)c(c2c3c(c(c(c(c3c(=O)c2c1I)F)F)F)F)I)F
• Title of publication: Synthesis of fluorinated anti-fluorenacenedione and the structural, electronic, and field-effect properties
• Authors of publication: Miyata, Yasuo; Minari, Takeo; Nemoto, Takashi; Isoda, Seiji; Komatsu, Koichi
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 16
• Pages of publication: 2592
• a: 10.978 ± 0.0015 Å
• b: 4.7347 ± 0.0006 Å
• c: 16.96 ± 0.002 Å
• α: 90°
• β: 108.412 ± 0.002°
• γ: 90°
• Cell volume: 836.41 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.029
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No