Information card for entry 7135499

Structure parameters

• Formula: C4.25 H2.5 B0.25 Cl0.25 F0.5 N0.5
• Calculated formula: C4.25 H2.5 B0.25 Cl0.25 F0.5 N0.5
• 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: 8.72703 ± 0.00019 Å
• b: 7.5733 ± 0.00014 Å
• c: 21.4926 ± 0.0004 Å
• α: 90°
• β: 90.3969 ± 0.0019°
• γ: 90°
• Cell volume: 1420.46 ± 0.05 ų
• Cell temperature: 297.7 ± 0.2 K
• Ambient diffraction temperature: 297.7 ± 0.2 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: 0.0368
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No