Information card for entry 7237321

Structure parameters

• Formula: C37 H27 N O2 S
• Calculated formula: C37 H27 N O2 S
• Title of publication: A simple and broadly applicable synthesis of fluorene-coupled D–σ–A type molecules: towards high-triplet-energy bipolar hosts for efficient blue thermally-activated delayed fluorescence
• Authors of publication: Li, Chuan; Du, Xiaoyang; Zhou, Yu; Ye, Jun; Fu, Lulu; Humphrey, Mark G.; Wu, Chao; Zhao, Juewen; Du, Yanqing; Tao, Silu; Wu, Jiacheng; Zhang, Chi
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 26
• Pages of publication: 6949
• a: 8.8671 ± 0.0003 Å
• b: 34.1025 ± 0.0012 Å
• c: 12.0757 ± 0.0003 Å
• α: 90°
• β: 128.71 ± 0.002°
• γ: 90°
• Cell volume: 2849.4 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No