Information card for entry 7204999

Structure parameters

• Chemical name: 1,1-bis(1',1',3',3'-tetramethylisoindolin-2'-yloxyl-5'-yl)ethane
• Formula: C26 H34 N2 O2
• Calculated formula: C26 H32 N2 O2
• 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: 12.6113 ± 0.0017 Å
• b: 16.164 ± 0.002 Å
• c: 5.8952 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1201.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.425
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No