Information card for entry 4115953

Structure parameters

• Formula: C24 H18 F12 Mn N3 O5
• Calculated formula: C24 H18 F12 Mn N3 O5
• Title of publication: Tris[p-(N-oxyl-N-tert-butylamino)phenyl]amine, -methyl, and -borane Have Doublet, Triplet, and Doublet Ground States, Respectively
• Authors of publication: Tetsuji Itoh; Kenji Matsuda; Hiizu Iwamura; Kenzi Hori
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 2567 - 2576
• a: 8.358 ± 0.002 Å
• b: 17.716 ± 0.003 Å
• c: 20.249 ± 0.003 Å
• α: 90°
• β: 98.83 ± 0.02°
• γ: 90°
• Cell volume: 2962.7 ± 1 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 6
• 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: 0.0741
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 2.79
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No