Information card for entry 7226289

Structure parameters

• Formula: C36.5 H34 N2 O1.5
• Calculated formula: C36.5 H34 N2 O1.5
• Title of publication: A series of tetraphenylethene-based benzimidazoles: syntheses, structures, aggregation-induced emission and reversible mechanochromism
• Authors of publication: Zhang, Tengfei; zhang, ran; Zhang, Zhao-Ming; Ni, Zhong-Hai
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.275 ± 0.002 Å
• b: 9.28 ± 0.003 Å
• c: 23.64 ± 0.007 Å
• α: 83.829 ± 0.006°
• β: 88.466 ± 0.006°
• γ: 79.361 ± 0.006°
• Cell volume: 1559.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2151
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No