Information card for entry 7114620

Structure parameters

• Formula: C33 H23 N O S
• Calculated formula: C33 H23 N O S
• SMILES: s1c2cc(O)ccc2nc1c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: An AIE-active luminophore with tunable and remarkable fluorescence switching based on the piezo and protonation-deprotonation control
• Authors of publication: Chunping Ma; Bingjia Xu; Gaoyi Xie; Jiajun He; Xie Zhou; Bangyin Peng; Long Jiang; Bin Xu; Wenjing Tian; Zhenguo Chi; Siwei Liu; Yi Zhang; Jiarui Xu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7374
• a: 23.642 ± 0.003 Å
• b: 5.7597 ± 0.0006 Å
• c: 19.018 ± 0.003 Å
• α: 90°
• β: 105.496 ± 0.004°
• γ: 90°
• Cell volume: 2495.6 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No