Information card for entry 7151852

Structure parameters

• Formula: C19 H18 O4
• Calculated formula: C19 H18 O4
• SMILES: O([C@]([C@H](O)C#C)(C(=O)OC)c1ccccc1)Cc1ccccc1.O([C@@]([C@@H](O)C#C)(C(=O)OC)c1ccccc1)Cc1ccccc1
• Title of publication: Diastereoselective three-component reactions of aryldiazoacetates with alcohols/water and alkynals: application to substituted enelactones.
• Authors of publication: Han, Xingchun; Jiang, Liqing; Tang, Min; Hu, Wenhao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 3839 - 3843
• a: 12.9167 ± 0.0017 Å
• b: 9.8437 ± 0.0013 Å
• c: 13.3798 ± 0.0017 Å
• α: 90°
• β: 107.208 ± 0.002°
• γ: 90°
• Cell volume: 1625.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0668
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No