Information card for entry 1513245

Structure parameters

• Formula: C11 H14 O2
• Calculated formula: C11 H14 O2
• SMILES: OCC/C=C\c1ccc(cc1)OC
• Title of publication: Ni-Catalyzed Stereoselective Arylation of Inert C-O bonds at Low Temperatures.
• Authors of publication: Cornella, Josep; Martin, Ruben
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 6298 - 6301
• a: 44.087 ± 0.004 Å
• b: 7.0736 ± 0.0007 Å
• c: 6.2427 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1946.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No