Information card for entry 4001890

Structure parameters

• Formula: C32 H44 N2 O4
• Calculated formula: C32 H44 N2 O4
• SMILES: CCCC[N+](=c1ccc(c(c1)O)=C1C([O-])=C(C1=O)c1ccc(cc1O)N(CCCC)CCCC)CCCC
• Title of publication: A Series of Squaraine Dyes: Effects of Side Chain and the Number of Hydroxyl Groups on Material Properties and Photovoltaic Performance
• Authors of publication: Chen, Guo; Sasabe, Hisahiro; Sasaki, Yusuke; Katagiri, Hiroshi; Wang, Xiao-Feng; Sano, Takeshi; Hong, Ziruo; Yang, Yang; Kido, Junji
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 1356
• a: 9.148 ± 0.006 Å
• b: 19.763 ± 0.011 Å
• c: 9.189 ± 0.008 Å
• α: 90°
• β: 119.657 ± 0.006°
• γ: 90°
• Cell volume: 1443.7 ± 1.8 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0665
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No