Information card for entry 4029160

Structure parameters

• Formula: C37 H31 N O4 S2
• Calculated formula: C37 H31 N O4 S2
• Title of publication: Dihydroindeno[2,1-c]fluorene-Based Imide Dyes: Synthesis, Structures, Photophysical and Electrochemical Properties.
• Authors of publication: Li, Yang-Yang; Lu, Hai-Yan; Li, Meng; Li, Xiao-Jun; Chen, Chuan-Feng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 5
• Pages of publication: 2139 - 2147
• a: 17.041 ± 0.005 Å
• b: 9.345 ± 0.003 Å
• c: 19.211 ± 0.006 Å
• α: 90°
• β: 100.886 ± 0.004°
• γ: 90°
• Cell volume: 3004.3 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1004
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No