Information card for entry 7002728

Structure parameters

• Formula: C19 H20 N2 O4 V
• Calculated formula: C19 H20 N2 O4 V
• SMILES: c12ccccc2C=[N]2[V]3(O1)([O]=C(C=C(O3)C)C)(=O)[n]1ccccc1CC2
• Title of publication: Polymer-bound oxidovanadium(IV) and dioxidovanadium(V) complexes: synthesis, characterization and catalytic application for the hydroamination of styrene and vinyl pyridine
• Authors of publication: Maurya, Mannar R.; Arya, Aarti; Kumar, Umesh; Kumar, Amit; Avecilla, Fernando; Pessoa, João Costa
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9555 - 9566
• a: 20.07 ± 0.004 Å
• b: 10.75 ± 0.002 Å
• c: 8.5203 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1838.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 2.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No