Information card for entry 4024456

Structure parameters

• Chemical name: 2,3-Bis(4,4,5,5-tetramethyl-3-oxid-1-oxyl-4,5 -dihydro-1H-imidazol-2-yl)quinoxaline 1,4-dioxide
• Formula: C22 H28 N6 O6
• Calculated formula: C22 H28 N6 O6
• SMILES: O=[N]1C(C)(C)C(C)(C)N(=O)=C1c1c(C2=N(=O)C(C)(C)C(C)(C)[N]2=O)[n](=O)c2ccccc2[n]1=O
• Title of publication: SNH Approach in the Synthesis of Nitronyl Nitroxides
• Authors of publication: Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 2870 - 2872
• a: 7.3405 ± 0.0009 Å
• b: 17.496 ± 0.002 Å
• c: 17.596 ± 0.002 Å
• α: 90°
• β: 95.388 ± 0.002°
• γ: 90°
• Cell volume: 2249.8 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0876
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No