Information card for entry 7115454

Structure parameters

• Formula: C37 H34 N2 O4
• Calculated formula: C37 H34 N2 O4
• SMILES: [N+]1(=C(C=C2C(=O)C(=C2[O-])c2c(O)cc(N3CCc4c3cccc4)cc2O)C(c2c1ccc1c2cccc1)(C)C)CCCC
• Title of publication: A low bandgap asymmetrical squaraine for high-performance solution-processed small molecule organic solar cells
• Authors of publication: Daobin Yang; Qianqian Yang; Lin Yang; Qian Luo; Yao Chen; Youqin Zhu; Yan Huang; Zhiyun Lu; Suling Zhao
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9346
• a: 8.978 ± 0.002 Å
• b: 10.664 ± 0.002 Å
• c: 15.89 ± 0.004 Å
• α: 104.914 ± 0.003°
• β: 94.754 ± 0.004°
• γ: 100.9 ± 0.004°
• Cell volume: 1429.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2139
• Weighted residual factors for all reflections included in the refinement: 0.2602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No