Information card for entry 2015577

Structure parameters

• Chemical name: 4-Acetamido-3,3,5,5-[^2^H~4~]-2,2,6,6-tetra([^2^H~3~]methyl)piperidin-1-yloxyl 0.33-hydrate
• Formula: C11 H5.66 D16 N2 O2.33
• Calculated formula: C11 H21.6667 N2 O2.33333
• SMILES: [N]1(C(CC(CC1(C)C)NC(=O)C)(C)C)=O.O
• Title of publication: 4-Acetamido-3,3,5,5-[^2^H~4~]-2,2,6,6-tetra([^2^H~3~]methyl)piperidin-1-yloxyl 0.33-hydrate
• Authors of publication: Duskova, Jarmila; Jiri Labsky; Ivana Cisarova; Tereza Skalova; Jan Dohnalek; Jindrich Hasek
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o563 - o566
• a: 10.694 ± 0.0003 Å
• b: 11.712 ± 0.0003 Å
• c: 16.048 ± 0.0005 Å
• α: 109.351 ± 0.001°
• β: 101.678 ± 0.001°
• γ: 90.325 ± 0.001°
• Cell volume: 1851.41 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes