Information card for entry 7160468

Structure parameters

• Formula: C16 H14 O4
• Calculated formula: C16 H14 O4
• Title of publication: Dual palladium-organophotoredox catalyzed C-H olefination-annulation of aryl carboxylic acids.
• Authors of publication: Varma, A. Anagha; Gopinath, Purushothaman
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 18
• Pages of publication: 4398 - 4402
• a: 4.7983 ± 0.0002 Å
• b: 12.3215 ± 0.0006 Å
• c: 22.008 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1301.16 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No