Information card for entry 1553599

Structure parameters

• Formula: C46 H32
• Calculated formula: C46 H32
• SMILES: c1(c2c(c3c4ccccc4c(c3c(c2c2c1cccc2)c1ccccc1)c1ccc(cc1)C)c1ccccc1)c1ccc(cc1)C
• 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: 16.8864 ± 0.0004 Å
• b: 7.4906 ± 0.0002 Å
• c: 24.7447 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3129.94 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 2
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No