Information card for entry 4003131

Structure parameters

• Formula: C36 H40 N6
• Calculated formula: C36 H40 N6
• SMILES: C(#N)C(C#N)=C1C=C2C(C=C1)=C1C(=C3C(=CC(C=C3)=C(C#N)C#N)N1CC(CC)CCCC)N2CC(CCCC)CC
• 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: 10.9536 ± 0.0012 Å
• b: 12.6964 ± 0.0012 Å
• c: 12.78 ± 0.0011 Å
• α: 116.804 ± 0.004°
• β: 92.354 ± 0.006°
• γ: 98.939 ± 0.006°
• Cell volume: 1554.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1277
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2789
• Weighted residual factors for all reflections included in the refinement: 0.3154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No