Information card for entry 2003065

Structure parameters

• Common name: biPh-TEMPO
• Chemical name: 4-(biphenyl-4-yl)methyleneamino-2,2,6,6-tetramethylpiperidin-1-oxyl
• Formula: C22 H27 N2 O
• Calculated formula: C22 H27 N2 O
• SMILES: O=[N]1C(CC(/N=C/c2ccc(cc2)c2ccccc2)CC1(C)C)(C)C
• Title of publication: TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds
• Authors of publication: Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 231 - 245
• a: 5.955 ± 0.001 Å
• b: 28.488 ± 0.005 Å
• c: 11.796 ± 0.002 Å
• α: 90°
• β: 106.72 ± 0.02°
• γ: 90°
• Cell volume: 1916.5 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes