Information card for entry 7052843

Structure parameters

• Formula: C127.5 H84 Cl N4 O0.8
• Calculated formula: C127.5 H84 Cl N4 O0.8
• Title of publication: Piezofluorochromism and morphology of a new aggregation-induced emission compound derived from tetraphenylethylene and carbazole
• Authors of publication: Zhou, Xie; Li, Haiyin; Chi, Zhenguo; Zhang, Xiqi; Zhang, Jianyong; Xu, Bingjia; Zhang, Yi; Liu, Siwei; Xu, Jiarui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 685
• a: 11.0164 ± 0.0017 Å
• b: 11.8961 ± 0.0018 Å
• c: 18.841 ± 0.003 Å
• α: 81.814 ± 0.003°
• β: 84.93 ± 0.003°
• γ: 69.902 ± 0.003°
• Cell volume: 2293.1 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No