Information card for entry 4120526

Structure parameters

• Formula: C16 H16 O4
• Calculated formula: C16 H16 O4
• Title of publication: Ni-Catalyzed Carboxylation of C(sp(2))- and C(sp(3))-O Bonds with CO2.
• Authors of publication: Correa, Arkaitz; León, Thierry; Martin, Ruben
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 3
• Pages of publication: 1062 - 1069
• a: 10.3966 ± 0.0008 Å
• b: 6.3555 ± 0.0004 Å
• c: 21.0408 ± 0.0016 Å
• α: 90°
• β: 97.168 ± 0.002°
• γ: 90°
• Cell volume: 1379.42 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No