Information card for entry 7133267

Structure parameters

• Formula: C48 H31 Cl2 N
• Calculated formula: C48 H31 Cl2 N
• Title of publication: A through-space charge transfer pyrene-based fluorophore with anti-quenching behavior for deep-blue organic light-emitting devices.
• Authors of publication: Wang, Ru-Jia; Zheng, Fan; Liu, Xiao-Long; Wu, Yu-Lan; Jin, Jia-Ming; Li, Ze-Yan; Chen, Wen-Cheng; Huo, Yanping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 61
• Pages of publication: 7946 - 7949
• a: 10.6735 ± 0.0003 Å
• b: 11.3393 ± 0.0003 Å
• c: 15.9814 ± 0.0005 Å
• α: 96.998 ± 0.002°
• β: 104.429 ± 0.002°
• γ: 106.09 ± 0.002°
• Cell volume: 1761.56 ± 0.09 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.0718
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No