Information card for entry 7249706

Structure parameters

• Formula: C88 H80 N4 O12 S4
• Calculated formula: C88 H80 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: 13.2402 ± 0.0004 Å
• b: 39.0334 ± 0.0013 Å
• c: 19.5745 ± 0.0006 Å
• α: 90°
• β: 106.403 ± 0.003°
• γ: 90°
• Cell volume: 9704.6 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.247
• Residual factor for significantly intense reflections: 0.2048
• Weighted residual factors for significantly intense reflections: 0.4046
• Weighted residual factors for all reflections included in the refinement: 0.424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No