Information card for entry 7114622

Structure parameters

• Formula: C33 H24 Cl N O S
• Calculated formula: C33 H24 Cl N O S
• SMILES: c1(cc2c(cc1)[nH+]c(c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)s2)O.[Cl-]
• 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: 21.1014 ± 0.0011 Å
• b: 9.2666 ± 0.0006 Å
• c: 13.5115 ± 0.0007 Å
• α: 90°
• β: 100.062 ± 0.001°
• γ: 90°
• Cell volume: 2601.4 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0838
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No