Information card for entry 4034764

Structure parameters

• Formula: C13 H10 O2
• Calculated formula: C13 H10 O2
• SMILES: O=Cc1cc(c2ccccc2)ccc1O
• Title of publication: Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.
• Authors of publication: Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 24
• Pages of publication: 15486 - 15492
• a: 22.487 ± 0.004 Å
• b: 5.6204 ± 0.0012 Å
• c: 7.7323 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 977.3 ± 0.4 ų
• Cell temperature: 117 ± 2 K
• Ambient diffraction temperature: 117 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No