Information card for entry 1565674

Structure parameters

• Formula: C20 H16 O3
• Calculated formula: C20 H16 O3
• SMILES: o1c(c(c(c1C)C(=O)C)C(=O)c1ccccc1)c1ccccc1
• Title of publication: Photocatalytic synthesis of tetra-substituted furans promoted by carbon dioxide.
• Authors of publication: Tian, Ya-Ming; Wang, Huaiju; Ritu, ?; König, Burkhard
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 241 - 246
• a: 7.5343 ± 0.0001 Å
• b: 17.2112 ± 0.0001 Å
• c: 11.5465 ± 0.0001 Å
• α: 90°
• β: 95.379 ± 0.001°
• γ: 90°
• Cell volume: 1490.69 ± 0.03 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 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: 0.0331
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No