Information card for entry 8000286

Structure parameters

• Formula: C50 H32 N2 O
• Calculated formula: C50 H32 N2 O
• Title of publication: Fine Modulation of the Higher-Order Excitonic States toward More Efficient Conversion from Upper-Level Triplet to Singlet.
• Authors of publication: Xu, Yuwei; Wang, Cong; Zhou, Xuehong; Zhou, Jiadong; Guo, Xiaomin; Liang, Xiaoming; Hu, Dehua; Li, Feng; Ma, Dongge; Ma, Yuguang
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2019
• Pages of publication: 6878 - 6884
• a: 9.5474 ± 0.0003 Å
• b: 13.5232 ± 0.0004 Å
• c: 13.8528 ± 0.0004 Å
• α: 96.265 ± 0.002°
• β: 101.881 ± 0.002°
• γ: 94.046 ± 0.002°
• Cell volume: 1731.81 ± 0.09 ų
• Cell temperature: 100 ± 0.9 K
• Ambient diffraction temperature: 100 ± 0.9 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: 0.0585
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No