Information card for entry 7249704

Structure parameters

• Formula: C79 H68 N4 O12 S4
• Calculated formula: C79 H68 N4 O12 S4
• Title of publication: Tetraphenylethylene-based blue light-emitting organic salt crystals
• Authors of publication: Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 625 - 633
• a: 14.5199 ± 0.0005 Å
• b: 18.0137 ± 0.0006 Å
• c: 20.551 ± 0.0007 Å
• α: 104.206 ± 0.002°
• β: 98.769 ± 0.002°
• γ: 97.896 ± 0.002°
• Cell volume: 5063.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.3047
• Weighted residual factors for all reflections included in the refinement: 0.3251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No