Information card for entry 7160854

Structure parameters

• Formula: C25 H23 B F2 N2 O4 S2
• Calculated formula: C25 H23 B F2 N2 O4 S2
• Title of publication: 1,7-Dithienyl BODIPYs: Do Thienyls Outperform Phenyls?
• Authors of publication: Hotynchan, Andrii; Polishchuk, Vladyslav; Shishkina, Svitlana V.; Kulinich, Andrii Volodymyrovych; Kovtun, Yuriy P.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 19.774 ± 0.005 Å
• b: 8.0609 ± 0.0019 Å
• c: 30.271 ± 0.007 Å
• α: 90°
• β: 91.235 ± 0.016°
• γ: 90°
• Cell volume: 4824 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.3027
• Residual factor for significantly intense reflections: 0.1162
• Weighted residual factors for significantly intense reflections: 0.2187
• Weighted residual factors for all reflections included in the refinement: 0.2882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No