Information card for entry 7132147

Structure parameters

• Formula: C30 H23 B F2 N4
• Calculated formula: C30 H23 B F2 N4
• Title of publication: Pictet–Spengler Synthesis of Twist Quinoline-Fused BODIPYs as Heavy-Atom-Free Photosensitizers
• Authors of publication: Li, Wanwan; Gong, Qingbao; Wu, Qinghua; Guo, Luying; Guo, Xing; Guo, Dianjun; Jiao, Lijuan; Hao, Erhong
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 12.348 ± 0.004 Å
• b: 18.253 ± 0.006 Å
• c: 11.465 ± 0.004 Å
• α: 90°
• β: 110.146 ± 0.009°
• γ: 90°
• Cell volume: 2426 ± 1.4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• 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: 0.0952
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No