Information card for entry 4311467

Structure parameters

• Formula: C22 H24 N2 O5 V
• Calculated formula: C22 H24 N2 O5 V
• SMILES: [V]12(=O)(Oc3ccccc3C3OCC([N]1=3)(C)C)Oc1ccccc1C1OCC([N]2=1)(C)C
• Title of publication: Synthesis, Structure, and Catalytic Properties of VIV, MnIII, MoVI, and UVI Complexes Containing Bidentate (N, O) Oxazine and Oxazoline Ligands
• Authors of publication: Karuppasamy Kandasamy; Harkesh B. Singh; Ray J. Butcher; Jerry P. Jasinski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5704 - 5713
• a: 11.8441 ± 0.0006 Å
• b: 9.2827 ± 0.0005 Å
• c: 19.8234 ± 0.001 Å
• α: 90°
• β: 93.043 ± 0.001°
• γ: 90°
• Cell volume: 2176.42 ± 0.19 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.0523
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0941
• 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