Information card for entry 7108746

Structure parameters

• Formula: C14 H12 O3
• Calculated formula: C14 H12 O3
• SMILES: c1(cc2c(cc1O)cccc2)C(=C\C(=O)O)\C
• Title of publication: Ruthenium-catalyzed highly regio- and stereoselective hydroarylation of aryl carbamates with alkynes via C-H bond activation
• Authors of publication: Mallu Chenna Reddy; Masilamani Jeganmohan
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 481
• a: 23.015 ± 0.007 Å
• b: 5.8478 ± 0.0019 Å
• c: 17.37 ± 0.006 Å
• α: 90°
• β: 112.391 ± 0.006°
• γ: 90°
• Cell volume: 2161.5 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1649
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No