Information card for entry 1576810

Structure parameters

• Formula: C70 H50 B2 N6 O4
• Calculated formula: C69.9992 H49.999 B2 N6 O4
• 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: 16.4184 ± 0.0002 Å
• b: 17.0819 ± 0.0002 Å
• c: 21.1989 ± 0.0002 Å
• α: 90°
• β: 106.929 ± 0.001°
• γ: 90°
• Cell volume: 5687.75 ± 0.11 ų
• Cell temperature: 170.06 ± 0.1 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No