Information card for entry 7215446

Structure parameters

• Formula: C56 H96.3 Cl N32 O34.15
• Calculated formula: C56 H59 N32 O34.15
• Title of publication: Cucurbituril-assisted transformation of nitronyl nitroxide into imino nitroxide in the solid state
• Authors of publication: Vostrikova, Kira E.; Peresypkina, Eugenia V.; Drebushchak, Valery A.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3241
• a: 15.4845 ± 0.0004 Å
• b: 20.3081 ± 0.0006 Å
• c: 27.13 ± 0.0008 Å
• α: 90°
• β: 98.873 ± 0.002°
• γ: 90°
• Cell volume: 8429.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1282
• Residual factor for significantly intense reflections: 0.1068
• Weighted residual factors for significantly intense reflections: 0.2896
• Weighted residual factors for all reflections included in the refinement: 0.3108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No