Information card for entry 1553713

Structure parameters

• Chemical name: 2-(4'-Iodo-1,1'-biphenyl-4-yl)-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl
• Formula: C19 H20 I N2 O2
• Calculated formula: C19 H20 I N2 O2
• Title of publication: A direct synthetic method for (nitronyl nitroxide)-substituted π-electronic compounds via a palladium-catalyzed cross-coupling reaction with a zinc complex
• Authors of publication: Suzuki, Shuichi; Nakamura, Fumiya; Naota, Takeshi
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 591
• a: 8.9246 ± 0.0013 Å
• b: 26.061 ± 0.004 Å
• c: 15.999 ± 0.002 Å
• α: 90°
• β: 103.344 ± 0.003°
• γ: 90°
• Cell volume: 3620.6 ± 0.9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• 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: 0.1256
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No