Information card for entry 7135501

Structure parameters

• Formula: C4.6 H3 B0.2 F0.4 N0.4 O0.2
• Calculated formula: C23 H15 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: 10.1116 ± 0.0002 Å
• b: 11.6324 ± 0.0002 Å
• c: 30.3083 ± 0.0005 Å
• α: 94.567 ± 0.001°
• β: 97.121 ± 0.002°
• γ: 90.226 ± 0.002°
• Cell volume: 3525.85 ± 0.11 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2608
• Weighted residual factors for all reflections included in the refinement: 0.2691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No