Information card for entry 2006149

Structure parameters

• Formula: C23 H22 N2 O4 S
• Calculated formula: C23 H22 N2 O4 S
• SMILES: C=CCc1cc(OC)c(c(c1)/N=N/c1ccccc1)OS(=O)(=O)c1ccc(cc1)C
• Title of publication: 5-Allyl-3-methoxy-2-(<i>p</i>-tolylsulfonyloxy)azobenzene
• Authors of publication: Işık, Şamil; Aygün, Muhittin; Şaşmaz, Selami; Kendi, Engin; Büyükgüngör, Orhan; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 593 - 594
• a: 6.811 ± 0.002 Å
• b: 11.079 ± 0.002 Å
• c: 14.907 ± 0.002 Å
• α: 91.82 ± 0.03°
• β: 96.53 ± 0.03°
• γ: 105.41 ± 0.03°
• Cell volume: 1075.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.1234
• Weighted residual factors for significantly intense reflections: 0.117
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No