Information card for entry 2011362

Structure parameters

• Chemical name: 4-(2,4,6-Trimethyl)phenylazo(3,5-dimethyl)phenol
• Formula: C17 H20 N2 O
• Calculated formula: C17 H20 N2 O
• SMILES: Oc1cc(c(/N=N/c2c(C)cc(C)cc2C)c(c1)C)C
• Title of publication: 3,5-Dimethyl-4-(2,4,6-trimethylphenyldiazenyl)phenol
• Authors of publication: Lynch, Daniel E.; Byriel, Karl A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: e400 - e400
• a: 12.369 ± 0.002 Å
• b: 7.6809 ± 0.0003 Å
• c: 15.332 ± 0.003 Å
• α: 90°
• β: 101.842 ± 0.009°
• γ: 90°
• Cell volume: 1425.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.073
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes