Information card for entry 7058368

Structure parameters

• Chemical name: 5,5',5'',5'''-(anthracene-9,10-diylidenedipenta-1,4-diyne-1,5-diyl-3-ylidene)tetrakis(2,2-dimethyl-1,3-benzodioxole)
• Formula: C60 H44 O8
• Calculated formula: C60 H44 O8
• Title of publication: Tuning alkynyl-extended 9,10-dihydroanthracene-based systems into aggregation-induced emission (AIE) luminophores
• Authors of publication: Johnson, Matthew A.; Tabasi, Zahra A.; Zhao, Yuming
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 8325
• a: 8.5811 ± 0.0001 Å
• b: 16.8286 ± 0.0003 Å
• c: 17.0367 ± 0.0003 Å
• α: 81.6064 ± 0.0009°
• β: 75.5209 ± 0.0008°
• γ: 77.4936 ± 0.0011°
• Cell volume: 2314.57 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No