Information card for entry 7158485

Structure parameters

• Formula: C26 H26 Cl4 N2 O Zn
• Calculated formula: C26 H26 Cl4 N2 O Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[n+]1(ccc(/C=C/c2cc[n+](Cc3ccccc3)cc2)cc1)Cc1ccccc1.O
• Title of publication: A light-responsive molecular switch based on cucurbit[7]uril and 1,1'-bis(benzyl)-4-[2-(4-pyridyl)-vinyl]-pyridinium dibromide displaying white light emission.
• Authors of publication: Wang, Qin; Zhang, Kun; Lin, Rui-Lian; Sun, Wen-Qi; Ye, Ming-Fu; Xiao, Xin; Liu, Jing-Xin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 6
• Pages of publication: 1253 - 1259
• a: 10.3073 ± 0.0018 Å
• b: 18.584 ± 0.003 Å
• c: 14.516 ± 0.002 Å
• α: 90°
• β: 105.319 ± 0.004°
• γ: 90°
• Cell volume: 2681.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No