Information card for entry 7111396

Structure parameters

• Formula: C32 H46 N3 O4
• Calculated formula: C32 H46 N3 O4
• SMILES: O(c1ccc(N=Nc2ccccc2)cc1)CCCCCCCCCCCOC(=O)C1CC([N](=O)C1(C)C)(C)C
• Title of publication: Azobenzene derivatives with a long alkyl chain and aminoxyls
• Authors of publication: Fujino, Masahiro; Amano, Takamitsu; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 20
• Pages of publication: 2310 - 2311
• a: 6.675 ± 0.0007 Å
• b: 11.85 ± 0.002 Å
• c: 20.811 ± 0.002 Å
• α: 75.756 ± 0.008°
• β: 81.813 ± 0.003°
• γ: 75.557 ± 0.002°
• Cell volume: 1539.3 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.298
• Residual factor for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1465
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No