Information card for entry 4033629

Structure parameters

• Formula: C32 H36 N6 O2
• Calculated formula: C32 H36 N6 O2
• SMILES: O=C1N(c2c(cc3N(CCCCCCCC)C(=O)C(=C(C#N)C#N)c3c2)C1=C(C#N)C#N)CCCCCCCC
• 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: 8.6764 ± 0.0007 Å
• b: 11.0515 ± 0.0009 Å
• c: 31.064 ± 0.002 Å
• α: 90°
• β: 94.38 ± 0.003°
• γ: 90°
• Cell volume: 2969.9 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No