Information card for entry 4311466

Structure parameters

• Formula: C10 H11 N O2
• Calculated formula: C10 H11 N O2
• 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: 9.0577 ± 0.0008 Å
• b: 10.652 ± 0.001 Å
• c: 9.6107 ± 0.0009 Å
• α: 90°
• β: 101.457 ± 0.002°
• γ: 90°
• Cell volume: 908.79 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No