Information card for entry 2225454

Structure parameters

• Chemical name: (<i>E</i>)-4-Allyl-2-[(2-hydroxyphenyl)iminiomethyl]-6-methoxyphenolate
• Formula: C17 H17 N O3
• Calculated formula: C17 H17 N O3
• SMILES: Oc1ccccc1/[NH+]=C/c1cc(cc(OC)c1[O-])CC=C
• Title of publication: (<i>E</i>)-4-Allyl-2-[(2-hydroxyphenyl)iminiomethyl]-6-methoxyphenolate
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o934 - o935
• a: 14.719 ± 0.003 Å
• b: 9.1302 ± 0.0016 Å
• c: 20.597 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2768 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes