Information card for entry 7130941

Structure parameters

• Formula: C61 H47 Cl3 N6 O2
• Calculated formula: C61 H47 Cl3 N6 O2
• Title of publication: Mechano-chromic and mechano-enhanced electrogenerated chemiluminescence of tetra[4-(4-cyanophenyl)phenyl]ethene
• Authors of publication: Wang, Xiaofei; Qian, Manping; Jiang, Jiaxing; Gao, Qiang; Zhang, Chengxiao; Qi, Honglan
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 20.0178 ± 0.0011 Å
• b: 8.9301 ± 0.0005 Å
• c: 30.0676 ± 0.0017 Å
• α: 90°
• β: 102.188 ± 0.003°
• γ: 90°
• Cell volume: 5253.8 ± 0.5 ų
• Cell temperature: 152 K
• Ambient diffraction temperature: 152 K
• Number of distinct elements: 5
• 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: 0.1333
• Residual factor for significantly intense reflections: 0.1182
• Weighted residual factors for significantly intense reflections: 0.3383
• Weighted residual factors for all reflections included in the refinement: 0.364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.602
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No