Information card for entry 7160855

Structure parameters

• Formula: C14 H18 N2 O4
• Calculated formula: C14 H18 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: 7.5005 ± 0.0006 Å
• b: 9.6788 ± 0.0008 Å
• c: 20.8739 ± 0.0018 Å
• α: 90°
• β: 92.351 ± 0.005°
• γ: 90°
• Cell volume: 1514.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0701
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No