Information card for entry 7235784

Structure parameters

• Formula: C40 H36 N2 O4
• Calculated formula: C40 H36 N2 O4
• Title of publication: Marked effects of indolyl vs. indolinyl substituent on solid-state structure, carrier mobility and photovoltaic efficiency of asymmetrical squaraine dyes
• Authors of publication: Yang, Lin; Yang, Qianqian; Yang, Daobin; Luo, Qian; Zhu, Youqin; Huang, Yan; Zhao, Suling; Lu, Zhiyun
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 43
• Pages of publication: 18313
• a: 7.41851 ± 0.00017 Å
• b: 40.3306 ± 0.0011 Å
• c: 11.5514 ± 0.0003 Å
• α: 90°
• β: 99.732 ± 0.002°
• γ: 90°
• Cell volume: 3406.36 ± 0.15 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No