Information card for entry 1576809

Structure parameters

• Formula: C47 H40 B N3 O2
• Calculated formula: C47 H40 B N3 O2
• Title of publication: Realizing luminescent single crystals of covalent organic polymers with color-tunable emission through isomer engineering
• Authors of publication: Qin, Yanyan; She, Pengfei; Wang, Xiaoda; Wu, Jianjun; Lian, mingbing; Li, Feiyang; Liu, Shu-Juan; Gu, Qianfeng; Ma, Yun; Zhao, Qiang; Zhang, Qichun
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 24.5308 ± 0.0004 Å
• b: 10.3508 ± 0.0002 Å
• c: 31.7355 ± 0.0006 Å
• α: 90°
• β: 111.309 ± 0.002°
• γ: 90°
• Cell volume: 7507.2 ± 0.3 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No