Information card for entry 4315801

Structure parameters

• Formula: C11 H15 N O7 S2 V
• Calculated formula: C11 H15 N O7 S2 V
• SMILES: [V]12(=O)([O]=S(C)C)([O]=S(C)C)OC(=O)c3[n]2c(ccc3)C(=O)O1
• 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: 8.272 ± 0.0012 Å
• b: 9.1873 ± 0.0013 Å
• c: 11.4084 ± 0.0016 Å
• α: 82.248 ± 0.001°
• β: 69.076 ± 0.001°
• γ: 70.157 ± 0.001°
• Cell volume: 761.66 ± 0.19 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.486
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No