Information card for entry 4033628

Structure parameters

• Formula: C24 H20 N6 O2
• Calculated formula: C24 H20 N6 O2
• SMILES: O=C1N(CCCC)c2cc3c(N(CCCC)C(=O)C3=C(C#N)C#N)cc2C1=C(C#N)C#N
• Title of publication: Benzodipyrrole-2,6-dione-3,7-diylidenedimalononitrile Derivatives for Air-Stable <i>n</i>-Type Organic Field-Effect Transistors: Critical Role of <i>N</i>-Alkyl Substituent on Device Performance.
• Authors of publication: Dhondge, Attrimuni P.; Huang, Yi-Xiang; Lin, Ta; Hsu, Yu-Hung; Tseng, Shin-Lun; Chang, Yu-Chang; Chen, Henry J. H.; Kuo, Ming-Yu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 21
• Pages of publication: 14061 - 14068
• a: 9.372 ± 0.0009 Å
• b: 10.1969 ± 0.001 Å
• c: 11.3176 ± 0.0011 Å
• α: 90°
• β: 96.536 ± 0.003°
• γ: 90°
• Cell volume: 1074.54 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No