Information card for entry 7221009

Structure parameters

• Formula: C33 H34.5 Cl N2 O4.75
• Calculated formula: C33 H31 Cl N2 O4.75
• Title of publication: Tetraphenylethylene Imidazolium Macrocycle: Synthesis and Selective Fluorescence Turn-On Sensing of Pyrophosphate Anion
• Authors of publication: Wang, Jinhua; Zheng, Yan-Song; Xiong, Jia-Bin; Zhang, Xing; Song, Song; Zhu, Zhi-Hua
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 33.698 ± 0.007 Å
• b: 8.9588 ± 0.0018 Å
• c: 10.793 ± 0.002 Å
• α: 90°
• β: 107.81 ± 0.03°
• γ: 90°
• Cell volume: 3102.2 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2138
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No