Information card for entry 1503352

Structure parameters

• Formula: C18 H14 O4
• Calculated formula: C18 H14 O4
• SMILES: O=C(Oc1ccccc1C=O)C1=C(c2c([C@H]1O)cccc2)C
• Title of publication: Control of chemoselectivity by counteranions of cationic palladium complexes: a convenient enantioselective synthesis of dihydrocoumarins.
• Authors of publication: Han, Xiuling; Lu, Xiyan
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 108 - 111
• a: 7.7658 ± 0.0013 Å
• b: 13.523 ± 0.002 Å
• c: 13.641 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1432.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No