Information card for entry 7234667

Structure parameters

• Chemical name: (E)-3-(5-(diphenylamino)thiophen-2-yl)-1-phenylprop-2-en-1-one
• Formula: C25 H19 N O S
• Calculated formula: C25 H19 N O 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: 11.145 ± 0.006 Å
• b: 18.243 ± 0.009 Å
• c: 9.722 ± 0.005 Å
• α: 90°
• β: 90.995 ± 0.006°
• γ: 90°
• Cell volume: 1976.4 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0726
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No