Information card for entry 4514481

Structure parameters

• Formula: C25 H18 N4 O S
• Calculated formula: C25 H18 N4 O S
• SMILES: s1c(N(c2ccc(cc2)C)c2ccc(cc2)C)ccc1c1c2nonc2c(cc1)C#N
• Title of publication: New D-A-A-Configured Small-Molecule Donors for High-Efficiency Vacuum-Processed Organic Photovoltaics under Ambient Light.
• Authors of publication: Chen, Chia-Hsun; Ting, Hao-Chun; Li, Ya-Ze; Lo, Yuan-Chih; Sher, Pin-Hao; Wang, Juen-Kai; Chiu, Tien-Lung; Lin, Chi-Feng; Hsu, I-Sheng; Lee, Jiun-Haw; Liu, Shun-Wei; Wong, Ken-Tsung
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 8337 - 8349
• a: 6.9823 ± 0.0005 Å
• b: 9.2167 ± 0.0005 Å
• c: 16.928 ± 0.0011 Å
• α: 92.45 ± 0.005°
• β: 96.656 ± 0.006°
• γ: 101.602 ± 0.005°
• Cell volume: 1057.48 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0601
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No