Information card for entry 7237324

Structure parameters

• Formula: C51 H37 Cl3 N2 O2 S
• Calculated formula: C51 H37 Cl3 N2 O2 S
• Title of publication: Sulfur-bridged tetraphenylethylene AIEgens for deep-blue organic light-emitting diodes
• Authors of publication: Cai, Yuanjing; Shi, Changsheng; Zhang, Han; Chen, Bin; Samedov, Kerim; Chen, Ming; Wang, Zhiming; Zhao, Zujin; Gu, Xinggui; Ma, Dongge; Qin, Anjun; Tang, Ben Zhong
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 24
• Pages of publication: 6534
• a: 15.9689 ± 0.0004 Å
• b: 28.4291 ± 0.0004 Å
• c: 9.49878 ± 0.00019 Å
• α: 90°
• β: 106.722 ± 0.002°
• γ: 90°
• Cell volume: 4129.91 ± 0.15 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No