Information card for entry 7233769

Structure parameters

• Formula: C33 H30 N4 O2
• Calculated formula: C33 H30 N4 O2
• SMILES: c1(ccc(cc1)C(=O)N(c1ccccc1)c1ccccc1)N(c1ccc(cc1)N)c1ccc(cc1)N.C(=O)(C)OCC
• Title of publication: A novel ultrasound-sensitive mechanofluorochromic AIE-compound with remarkable blue-shifting and enhanced emission
• Authors of publication: Huawei Sun; Yi Zhang; Wei Yan; Wenxin Chen; Qi Lan; Siwei Liu; Long Jiang; Zhenguo Chi; Xudong Chen; Jiarui Xu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 5812 - 5817
• a: 13.0465 ± 0.0003 Å
• b: 14.1234 ± 0.0003 Å
• c: 15.2036 ± 0.0003 Å
• α: 97.5266 ± 0.0016°
• β: 92.1596 ± 0.0016°
• γ: 105.396 ± 0.0017°
• Cell volume: 2669.92 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No