Information card for entry 7034055

Structure parameters

• Formula: C15 H19 N2 O4
• Calculated formula: C15 H19 N2 O4
• SMILES: O=N1=C([N](=O)C(C)(C1(C)C)C)c1ccc(cc1)C(=O)OC
• Title of publication: Three new mononuclear tri-spin lanthanide-nitronyl nitroxide radical compounds: syntheses, structures and magnetic properties.
• Authors of publication: Li, Lei-Lei; Liu, Shuang; Zhang, Yuan; Shi, Wei; Cheng, Peng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 13
• Pages of publication: 6118 - 6125
• a: 9.5761 ± 0.0006 Å
• b: 10.1949 ± 0.0007 Å
• c: 15.8509 ± 0.001 Å
• α: 102.611 ± 0.006°
• β: 96.527 ± 0.005°
• γ: 96.021 ± 0.005°
• Cell volume: 1486.87 ± 0.17 ų
• Cell temperature: 130.65 ± 0.1 K
• Ambient diffraction temperature: 130.65 ± 0.1 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: 0.0508
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No