Information card for entry 7109119

Structure parameters

• Formula: C11.5 H20 N O3
• Calculated formula: C11.5 H20 N O3
• Title of publication: Organic multishell isostructural host-guest crystals: fullerenes C60 inside a nitroxide open framework
• Authors of publication: David Bardelang; Michel Giorgi; Cedric Pardanaud; Virginie Hornebecq; Egon Rizzato; Paul Tordo; Olivier Ouari
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3519
• a: 25.1752 ± 0.0007 Å
• b: 25.1752 ± 0.0007 Å
• c: 30.0006 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16466.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2537
• Weighted residual factors for all reflections included in the refinement: 0.2886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No