Information card for entry 2004529

Structure parameters

• Formula: C12 H20 N2 O2
• Calculated formula: C12 H20 N2 O2
• SMILES: O=[N]1[C@]2(C)C[C@@]3(C[C@@]1(C)C[C@](C2)([N]3=O)C)C
• Title of publication: Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-diazaadamantane-<i>N</i>,<i>N</i>'-dioxyl)
• Authors of publication: Dromzee, Y.; Chiarelli, R.; Gambarelli, S.; Rassat, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 474 - 477
• a: 8.381 ± 0.003 Å
• b: 14.495 ± 0.003 Å
• c: 10.351 ± 0.003 Å
• α: 90°
• β: 105.35 ± 0.02°
• γ: 90°
• Cell volume: 1212.6 ± 0.6 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.031
• Goodness-of-fit parameter for significantly intense reflections: 3.2
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No