Information card for entry 7160856

Structure parameters

• Formula: C29 H27 B F2 N2 O4
• Calculated formula: C29 H27 B F2 N2 O4
• 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: 11.3899 ± 0.0007 Å
• b: 7.849 ± 0.0005 Å
• c: 28.9675 ± 0.0017 Å
• α: 90°
• β: 100.595 ± 0.004°
• γ: 90°
• Cell volume: 2545.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No