Information card for entry 4122308

Structure parameters

• Formula: C18 H22 N2 O10
• Calculated formula: C18 H22 N2 O10
• Title of publication: Aerobic carbon-carbon bond cleavage of alkenes to aldehydes catalyzed by first-row transition-metal-substituted polyoxometalates in the presence of nitrogen dioxide.
• Authors of publication: Rubinstein, Amir; Jiménez-Lozanao, Pablo; Carbó, Jorge J; Poblet, Josep M.; Neumann, Ronny
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 31
• Pages of publication: 10941 - 10948
• a: 16.015 ± 0.002 Å
• b: 14.1139 ± 0.0018 Å
• c: 10.6266 ± 0.0014 Å
• α: 90°
• β: 127.29 ± 0.006°
• γ: 90°
• Cell volume: 1911 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.058
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No