Information card for entry 1553598

Structure parameters

• Formula: C40 H24 S2
• Calculated formula: C40 H24 S2
• SMILES: c1(c2c(c3c(c2c(c2c(c4c(c12)cccc4)c1sccc1)c1ccccc1)cccc3)c1sccc1)c1ccccc1
• Title of publication: The synthesis, structure, and properties of 5,6,11,12-tetraarylindeno[1,2-b]fluorenes and their applications as donors for organic photovoltaic devices
• Authors of publication: Lo, Yuan-Chih; Ting, Hao-Chun; Li, Ya-Ze; Li, Yi-Hua; Liu, Shun-Wei; Huang, Kuo-Wei; Wong, Ken-Tsung
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 675
• a: 7.5051 ± 0.0007 Å
• b: 8.6296 ± 0.0007 Å
• c: 11.6509 ± 0.0011 Å
• α: 73.729 ± 0.005°
• β: 77.669 ± 0.004°
• γ: 77.532 ± 0.006°
• Cell volume: 697.78 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No