Information card for entry 7135530

Structure parameters

• Formula: C34 H25 B Cl3 F5 N2 S
• Calculated formula: C34 H25 B Cl3 F5 N2 S
• Title of publication: Engineering asymmetric D-π-A BODIPYs as high-performance photosensitizers for photodynamic therapy.
• Authors of publication: Zhai, Ziyu; Cai, Fangjian; Li, Pengfei; Qu, Chulin; Shen, Zhen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 7
• Pages of publication: 2230 - 2233
• a: 18.4324 ± 0.0011 Å
• b: 10.1495 ± 0.0006 Å
• c: 17.5125 ± 0.0011 Å
• α: 90°
• β: 96.661 ± 0.002°
• γ: 90°
• Cell volume: 3254.1 ± 0.3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• 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: 0.151
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2422
• Weighted residual factors for all reflections included in the refinement: 0.2885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No