Information card for entry 7107222

Structure parameters

• Formula: C23 H16 O6
• Calculated formula: C23 H16 O6
• SMILES: O1C(=O)c2ccccc2c2ccccc2C(=O)OCC1OC(=O)c1ccccc1
• Title of publication: Facile and highly atom-economic method to build biaryl-containing medium-ring lactones
• Authors of publication: Dongdong Wu; Lei Wang; Kai Xu; Jia Song; Hong-Kun Fun; JianHua Xu; Yan Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1168
• a: 9.5616 ± 0.0003 Å
• b: 9.3551 ± 0.0003 Å
• c: 20.8303 ± 0.0006 Å
• α: 90°
• β: 100.119 ± 0.001°
• γ: 90°
• Cell volume: 1834.28 ± 0.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.054
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No