Information card for entry 4325060

Structure parameters

• Formula: C15 H22 N2 O4
• Calculated formula: C15 H22 N2 O4
• SMILES: Oc1c(cc(cc1N(=O)=O)C(C)(C)CC(C)(C)C)/C=N/O
• Title of publication: Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants
• Authors of publication: Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4515 - 4522
• a: 7.0554 ± 0.0006 Å
• b: 13.7741 ± 0.0013 Å
• c: 8.313 ± 0.0005 Å
• α: 91.144 ± 0.006°
• β: 106.331 ± 0.006°
• γ: 89.509 ± 0.007°
• Cell volume: 775.12 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No