Information card for entry 1574277

Structure parameters

• Formula: C38 H27 B2 N3 O2 S
• Calculated formula: C38 H27 B2 N3 O2 S1.002
• Title of publication: A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy
• Authors of publication: Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 7971 - 7980
• a: 29.2198 ± 0.0009 Å
• b: 9.7169 ± 0.0003 Å
• c: 23.8263 ± 0.0007 Å
• α: 90°
• β: 104.397 ± 0.003°
• γ: 90°
• Cell volume: 6552.5 ± 0.4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No