Information card for entry 7205000

Structure parameters

• Chemical name: 1,2,3,5,6,7-hexahydro-1,1,3,3,5,5,7,7-octamethylbenzo[1,2-c:4,5-c']- dipyrrol-2,6-diyloxyl
• Formula: C18 H26 N2 O2
• Calculated formula: C18 H26 N2 O2
• SMILES: C1(c2c(C([N]1=O)(C)C)cc1C([N](C(c1c2)(C)C)=O)(C)C)(C)C
• Title of publication: New isoindoline aminoxyl based polyradicals for spin probes and molecular magnetic materials
• Authors of publication: Smith, Craig D.; Bott, Raymond C.; Bottle, Steven E.; Micallef, Aaron S.; Smith, Graham
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 533
• a: 6.332 ± 0.002 Å
• b: 13.4029 ± 0.0017 Å
• c: 11.2087 ± 0.0017 Å
• α: 90°
• β: 92.007 ± 0.019°
• γ: 90°
• Cell volume: 950.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.2415
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No