Information card for entry 7234669

Structure parameters

• Chemical name: (E)-3-(5-(bis(4-ethoxyphenyl)amino)thiophen-2-yl)-1- (pyridin-2-yl)prop-2-en-1-one
• Formula: C28 H26 N2 O3 S
• Calculated formula: C28 H26 N2 O3 S
• Title of publication: Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region
• Authors of publication: Jingyun Tan; Yujin Zhang; Meirong Zhang; Xiaohe Tian; Yiming Wang; Shengli Li; Chuankui Wang; Hongping Zhou; Jiaxiang Yang; Yupeng Tian; Jieying Wu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 3256 - 3267
• a: 7.406 ± 0.005 Å
• b: 11.831 ± 0.009 Å
• c: 14.142 ± 0.01 Å
• α: 89.231 ± 0.009°
• β: 81.249 ± 0.009°
• γ: 89.949 ± 0.009°
• Cell volume: 1224.6 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No