Information card for entry 4315799

Structure parameters

• Formula: C14 H18 N O7 V
• Calculated formula: C14 H18 N O7 V
• SMILES: [V]123(OC(=O)c4[n]2c(C(=O)O1)ccc4)([O](C(C)(C)C(O3)(C)C)C)=O
• Title of publication: Aerobic Oxidation of Lignin Models Using a Base Metal Vanadium Catalyst
• Authors of publication: Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; David L. Thorn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5611 - 5618
• a: 10.444 ± 0.003 Å
• b: 9.69 ± 0.003 Å
• c: 15.041 ± 0.004 Å
• α: 90°
• β: 98.1 ± 0.003°
• γ: 90°
• Cell volume: 1507 ± 0.8 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No