Information card for entry 2223009

Structure parameters

• Chemical name: 2-((<i>E</i>)-{2-[(<i>E</i>)-2,3-Dihydroxybenzylideneamino]-5- methylphenyl}iminiomethyl)-6-hydroxyphenolate
• Formula: C21 H18 N2 O4
• Calculated formula: C21 H18 N2 O4
• Title of publication: 2-((<i>E</i>)-{2-[(<i>E</i>)-2,3-Dihydroxybenzylideneamino]-5-methylphenyl}iminiomethyl)-6-hydroxyphenolate
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Yeap, Chin Sing; Fun, Hoong-Kun; Adnan, Rohana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2065 - o2066
• a: 17.0634 ± 0.0002 Å
• b: 21.3455 ± 0.0002 Å
• c: 20.0291 ± 0.0002 Å
• α: 90°
• β: 99.982 ± 0.001°
• γ: 90°
• Cell volume: 7184.7 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes