Information card for entry 7062974

Structure parameters

• Chemical name: diethyl (2R,2'S)-4,4'-dioxo-[2,2'-bichromane]-2,2'-dicarboxylate
• Formula: C12 H11 O4
• Calculated formula: C12 H11 O4
• Title of publication: Organophotoredox-catalyzed stereoselective reductive dimerization of chromone-2-carboxylic esters
• Authors of publication: De, Arijit; Manna, Tanaya; Debnath, Subhas Chandra; Husain, Syed Masood
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 1902 - 1906
• a: 7.804 ± 0.005 Å
• b: 8.861 ± 0.004 Å
• c: 15.717 ± 0.007 Å
• α: 90°
• β: 100.925 ± 0.013°
• γ: 90°
• Cell volume: 1067.2 ± 1 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• 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: 0.1374
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No