Information card for entry 4003132

Structure parameters

• Formula: C36 H38 F2 N6
• Calculated formula: C35.9996 H38 F2 N6
• SMILES: FC1C(C=C2N(C3=C4C=C(C(C=C4N(C3=C2C=1)CC(CCCC)CC)=C(C#N)C#N)F)CC(CC)CCCC)=C(C#N)C#N
• Title of publication: Pyrrolo[3,2-b]pyrrole-Based Quinoidal Compounds For High Performance n-Channel Organic Field-Effect Transistor
• Authors of publication: Wu, Hongzhuo; Wang, Yang; Qiao, Xiaolan; Wang, Deliang; Yang, Xiaodi; Li, Hongxiang
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 6992
• a: 15.4387 ± 0.0006 Å
• b: 12.7404 ± 0.0004 Å
• c: 20.8005 ± 0.0008 Å
• α: 90°
• β: 106.901 ± 0.002°
• γ: 90°
• Cell volume: 3914.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1661
• Residual factor for significantly intense reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.2668
• Weighted residual factors for all reflections included in the refinement: 0.3031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No