Information card for entry 4115802

Structure parameters

• Chemical name: 4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl-2-imidazolin-2-yl)-benzoic acid 2,4-bis(1-oxyl-3-oxido-4,4,5,5-tetramethyl-2-imidazolin-2-yl)-phenyl ester
• Formula: C40 H57 N6 O8
• Calculated formula: C40 H43 N6 O8
• SMILES: O=N1=C([N](=O)C(C1(C)C)(C)C)c1ccc(OC(=O)c2ccc(cc2)C2=N(=O)C(C([N]2=O)(C)C)(C)C)c(c1)C1=N(=O)C(C([N]1=O)(C)C)(C)C.C(C)CCCC
• Title of publication: Single-Component Molecule-Based Ferrimagnetics
• Authors of publication: Daisuke Shiomi; Takayasu Kanaya; Kazunobu Sato; Masaki Mito; Kazuyoshi Takeda; Takeji Takui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11823 - 11824
• a: 34.16 ± 0.02 Å
• b: 12.551 ± 0.009 Å
• c: 17.77 ± 0.03 Å
• α: 90°
• β: 100.68 ± 0.08°
• γ: 90°
• Cell volume: 7487 ± 15 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.771
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No