Information card for entry 2007375

Structure parameters

• Formula: C17 H20 N2 O2
• Calculated formula: C17 H20 N2 O2
• SMILES: COc1cc(/N=N/c2ccccc2)c(c(c1)C(C)(C)C)O
• Title of publication: 3-<i>tert</i>-Butyl-2hydroxy-5-methoxyazobenzene
• Authors of publication: Işik, Şamil; Aygün, Muhittin; Kocaokutgen, Hasan; Tahir, M. Nawaz; Büyükgüngör, Orhan; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 859 - 860
• a: 12.984 ± 0.002 Å
• b: 6.893 ± 0.001 Å
• c: 17.224 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1541.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.113
• Weighted residual factors for significantly intense reflections: 0.1032
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.219
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No