Information card for entry 7231209

Structure parameters

• Chemical name: '2,6-Di-tretbutyl-4-[1-oxi-(4-(biphenyl-4-yl)-5,5-dimethyl-1H-imidazol -2(5H)-yliden]cyclohexa-2,5-dienone'
• Formula: C31 H35 N2 O2
• Calculated formula: C31 H35 N2 O2
• Title of publication: The Suzuki‒Miyaura reaction as a tool for modification of phenoxyl-nitroxyl radicals of the 4H-imidazole N-oxide series
• Authors of publication: Ten, Yury A.; Salnikov, Oleg G.; Amitina, Svetlana A.; Stass, Dmitri V.; Rybalova, Tatyana V.; Kazantsev, Maxim S.; Bogomyakov, Artem S.; Mostovich, Evgeny A.; Mazhukin, Dmitrii G.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 46
• Pages of publication: 26099
• a: 11.5429 ± 0.0007 Å
• b: 14.3317 ± 0.0008 Å
• c: 16.9947 ± 0.001 Å
• α: 90°
• β: 109.552 ± 0.002°
• γ: 90°
• Cell volume: 2649.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1501
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2911
• Weighted residual factors for all reflections included in the refinement: 0.3367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.308
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No