Information card for entry 7115455

Structure parameters

• Formula: C38 H36 N2 O4
• Calculated formula: C38 H36 N2 O4
• 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: 14.082 ± 0.0006 Å
• b: 14.0978 ± 0.0004 Å
• c: 16.5453 ± 0.0005 Å
• α: 90°
• β: 112.969 ± 0.004°
• γ: 90°
• Cell volume: 3024.2 ± 0.2 ų
• Cell temperature: 143.05 ± 0.1 K
• Ambient diffraction temperature: 143.05 ± 0.1 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: 0.0875
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No