Information card for entry 7249705

Structure parameters

• Formula: C222 H198 N12 O36 S12
• Calculated formula: C222 H198 N12 O36 S12
• 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: 12.6165 ± 0.0005 Å
• b: 19.6272 ± 0.0008 Å
• c: 21.927 ± 0.001 Å
• α: 82.317 ± 0.003°
• β: 78.76 ± 0.002°
• γ: 86.655 ± 0.002°
• Cell volume: 5274.8 ± 0.4 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: 0.2149
• Residual factor for significantly intense reflections: 0.1727
• Weighted residual factors for significantly intense reflections: 0.4183
• Weighted residual factors for all reflections included in the refinement: 0.4484
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No