Information card for entry 4001131

Structure parameters

• Formula: C32 H14 F12 N2 O4
• Calculated formula: C32 H14 F12 N2 O4
• SMILES: FC(c1cc(cc(c1)C(F)(F)F)CN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)F
• Title of publication: Easily Synthesized Naphthalene Tetracarboxylic Diimide Semiconductors with High Electron Mobility in Air
• Authors of publication: See, Kevin C.; Landis, Chad; Sarjeant, Amy; Katz, Howard E.
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 11
• Pages of publication: 3609
• a: 4.7402 ± 0.0003 Å
• b: 11.6558 ± 0.0007 Å
• c: 12.7944 ± 0.0007 Å
• α: 72.455 ± 0.005°
• β: 85.757 ± 0.005°
• γ: 84.292 ± 0.005°
• Cell volume: 669.95 ± 0.07 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No