Information card for entry 1545654

Structure parameters

• Formula: C11 H14 O4
• Calculated formula: C11 H14 O4
• Title of publication: A Ligand-Directed Catalytic Regioselective Hydrocarboxylation of Aryl Olefins with Pd and Formic Acid.
• Authors of publication: Liu, Wei; Ren, Wenlong; Li, Jingfu; Shi, Yuan; Chang, Wenju; Shi, Yian
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1748 - 1751
• a: 8.86 ± 0.0018 Å
• b: 10.405 ± 0.002 Å
• c: 18.908 ± 0.004 Å
• α: 100.08 ± 0.03°
• β: 94.73 ± 0.03°
• γ: 99.66 ± 0.03°
• Cell volume: 1680.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1761
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2139
• Weighted residual factors for all reflections included in the refinement: 0.2514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No