Information card for entry 7234666

Structure parameters

• Chemical name: (<i>E</i>)-3-[5-(Diphenylamino)thiophen-2-yl]-1-(pyridin-3-yl)prop-2-en-1-one
• Formula: C24 H18 N2 O S
• Calculated formula: C24 H18 N2 O S
• SMILES: s1c(N(c2ccccc2)c2ccccc2)ccc1/C=C/C(=O)c1cccnc1
• 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: 10.976 ± 0.005 Å
• b: 18.029 ± 0.005 Å
• c: 9.697 ± 0.005 Å
• α: 90°
• β: 90.728 ± 0.005°
• γ: 90°
• Cell volume: 1918.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No