Information card for entry 1552378

Structure parameters

• Formula: C44 H26
• Calculated formula: C44 H26
• SMILES: C1(c2ccccc2C(c2cc3ccccc3cc12)=C1c2ccccc2c2ccccc12)=C1c2ccccc2c2ccccc12
• Title of publication: The Butterfly Effect in Bisfluorenylidene-based Dihydroacenes: Aggregation Induced Emission and Spin Switching
• Authors of publication: Yin, Xiaodong; Low, Jonathan Z.; Fallon, Kealan; Paley, Daniel W.; Campos, Luis
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 11.6946 ± 0.0005 Å
• b: 15.9924 ± 0.0006 Å
• c: 15.5144 ± 0.0006 Å
• α: 90°
• β: 97.492 ± 0.004°
• γ: 90°
• Cell volume: 2876.8 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 2
• 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: 0.0539
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No