Information card for entry 1504726

Structure parameters

• Formula: C19 H16 O6
• Calculated formula: C19 H16 O6
• SMILES: O1C(OC(=O)C(=C(\C(=O)OC)c2ccc3ccccc3c2)\C1=O)(C)C
• Title of publication: Asymmetric synthesis of carboxylic acid derivatives having an all-carbon alpha-quaternary center through Cu-catalyzed 1,4-addition of dialkylzinc reagents to 2-aryl acetate derivatives.
• Authors of publication: Wilsily, Ashraf; Fillion, Eric
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2801 - 2804
• a: 9.9608 ± 0.0006 Å
• b: 9.8561 ± 0.0004 Å
• c: 33.131 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3252.6 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1276
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No