Information card for entry 1553886

Structure parameters

• Formula: C18 H20 O2
• Calculated formula: C18 H20 O2
• SMILES: c1(c(cc(cc1C)C)C)CC(C(=O)O)c1ccccc1
• Title of publication: An effective approach to aryl-substituted propanoic acids via the Pd-catalyzed hydrocarboxylation of stilbenes
• Authors of publication: Dai, Jie; Ren, Wenlong; Li, Jingfu; Shi, Yian
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 561
• a: 8.26 ± 0.0017 Å
• b: 10.221 ± 0.002 Å
• c: 10.602 ± 0.002 Å
• α: 102.5 ± 0.03°
• β: 107.52 ± 0.03°
• γ: 109.03 ± 0.03°
• Cell volume: 756.2 ± 0.4 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: 0.0901
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No