Information card for entry 7124084

Structure parameters

• Chemical name: Tetrabenzo[5,7]fulvalene
• Formula: C28 H18
• Calculated formula: C28 H18
• Title of publication: Tetrabenzo[5.7]Fulvalene: A Forgotten Aggregation Induced-Emission Luminogen
• Authors of publication: Crocker, Reece Douglas; Zhang, Bolong; Pace, Domenic Paul; Wong, Wallace Wing Ho; Nguyen, Thanh Vinh
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.9396 ± 0.001 Å
• b: 19.416 ± 0.002 Å
• c: 11.7318 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1808.5 ± 0.3 ų
• Cell temperature: 100.93 K
• Ambient diffraction temperature: 100.93 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No