Information card for entry 4022734

Structure parameters

• Formula: C33 H47 N4 O6
• Calculated formula: C33 H47 N4 O6
• SMILES: O=N(=O)c1ccc(N=Nc2ccc(OCCCCCCCCCCCOC(=O)C3CC([N](=O)C(C3)(C)C)(C)C)cc2)cc1
• 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: 8.998 ± 0.003 Å
• b: 34.477 ± 0.003 Å
• c: 11.1675 ± 0.0004 Å
• α: 90°
• β: 105.724 ± 0.0008°
• γ: 90°
• Cell volume: 3334.6 ± 1.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2757
• Residual factor for significantly intense reflections: 0.121
• Weighted residual factors for all reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1299
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No