Information card for entry 4028402

Structure parameters

• Formula: C17 H33 N3 O2
• Calculated formula: C17 H33 N3 O2
• SMILES: C1(CC(C)(C)[N](C(C1)(C)C)=O)N[C@H]1C(C)(C)[N](C(C1)(C)C)=O
• Title of publication: Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives
• Authors of publication: Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 6558 - 6569
• a: 7.8821 ± 0.0008 Å
• b: 11.6183 ± 0.0007 Å
• c: 10.8273 ± 0.0008 Å
• α: 90°
• β: 111.059 ± 0.01°
• γ: 90°
• Cell volume: 925.3 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No