Information card for entry 7234668

Structure parameters

• Chemical name: (E)-3-(5-(bis(4-ethoxyphenyl)amino)thiophen-2-yl)-1-phenylprop-2-en-1-one
• Formula: C29 H27 N O3 S
• Calculated formula: C29 H27 N 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: 5.5078 ± 0.0009 Å
• b: 13.846 ± 0.002 Å
• c: 16.264 ± 0.003 Å
• α: 85.22 ± 0.002°
• β: 84.223 ± 0.002°
• γ: 85.091 ± 0.002°
• Cell volume: 1226 ± 0.4 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: 0.071
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1616
• 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