Information card for entry 7234831

Structure parameters

• Chemical name: 4,4?-((2?,5?-bis((4-(dimesitylboryl)phenyl)ethynyl)-[1,1?:4?,1?-terphenyl] -4,4?-diyl)bis(1,2-diphenylethene-2,1-diyl))bis(N,N-diphenylaniline)
• Formula: C134 H110 B2 N2
• Calculated formula: C134 H110 B2 N2
• Title of publication: Donor-acceptor pi-conjugated aggregation-induced emission molecules for reversible nanometer-scale data storage
• Authors of publication: Shuhong Li; Yanli Shang; Lifang Wang; Ryan T. K. Kwok; Ben Zhong Tang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 5363 - 5369
• a: 9.407 ± 0.002 Å
• b: 26.048 ± 0.007 Å
• c: 24.745 ± 0.006 Å
• α: 90°
• β: 94.94 ± 0.003°
• γ: 90°
• Cell volume: 6041 ± 3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• 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: 0.2101
• Residual factor for significantly intense reflections: 0.1681
• Weighted residual factors for significantly intense reflections: 0.3635
• Weighted residual factors for all reflections included in the refinement: 0.3789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No