Information card for entry 7135500

Structure parameters

• Formula: C17 H11 B F2 N2 O
• Calculated formula: C17 H11 B F2 N2 O
• Title of publication: A facile strategy for π-extended BOPYINs: transformation into six-membered BODIPY analogues and their optical properties.
• Authors of publication: Zhang, Ziyi; Li, Xi; Feng, Yilin; Gao, Xin; Qi, Yong; Yan, Jiaying; Zhang, Nuonuo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 8
• Pages of publication: 2659 - 2663
• a: 9.6144 ± 0.0002 Å
• b: 8.748 ± 0.0001 Å
• c: 16.3991 ± 0.0003 Å
• α: 90°
• β: 105.208 ± 0.002°
• γ: 90°
• Cell volume: 1330.97 ± 0.04 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No