Information card for entry 4022731

Structure parameters

• Formula: C22 H26 N3 O3
• Calculated formula: C22 H26 N3 O3
• SMILES: O=[N]1C(CC(C(=O)Oc2ccc(N=Nc3ccccc3)cc2)CC1(C)C)(C)C
• Title of publication: Azobenzene Derivatives Carrying a Nitroxide Radical
• Authors of publication: Shin'ichi Nakatsuji; Masahiro Fujino; Satoko Hasegawa; Hiroki Akutsu; Jun-ichi Yamada; Vladimir S. Gurman; Andrey Kh.Vorobiev
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 2021 - 2029
• a: 5.773 ± 0.002 Å
• b: 11.72 ± 0.002 Å
• c: 30.012 ± 0.002 Å
• α: 90°
• β: 93.34 ± 0.02°
• γ: 90°
• Cell volume: 2027.2 ± 0.8 ų
• Cell temperature: 296.1 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 significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No