Information card for entry 7101419

Structure parameters

• Formula: C20 H12 O4
• Calculated formula: C20 H12 O4
• SMILES: O1c2ccccc2OC(=O)c2ccccc2c2c(C1=O)cccc2
• Title of publication: Copper Catalyzed Oxidation of Organozinc Halides
• Authors of publication: David Spring; David T. Blackwell; David J. Fox; Xianbin Su.; Kiyotaka Tanaka
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 37
• a: 9.3998 ± 0.0002 Å
• b: 11.4953 ± 0.0003 Å
• c: 13.9452 ± 0.0004 Å
• α: 90°
• β: 97.273 ± 0.001°
• γ: 90°
• Cell volume: 1494.7 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1035
• 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