Information card for entry 2208237

Structure parameters

• Chemical name: (E)-1-Ethoxycarbonyl-3-[(2-hydroxynaphthalen-1-ylmethyl)phenyliminio]butan-2-ide
• Formula: C23 H23 N O3
• Calculated formula: C23 H23 N O3
• SMILES: Oc1c(C(NC(=CC(=O)OCC)C)c2ccccc2)c2ccccc2cc1
• Title of publication: (<i>E</i>)-1-Ethoxycarbonyl-2-[(2-hydroxy-1-naphthyl)(phenyl)methyliminio]propan-1-ide
• Authors of publication: Jing-Hua Li; Chui-Pan Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o942 - o944
• a: 9.602 ± 0.004 Å
• b: 9.962 ± 0.005 Å
• c: 10.899 ± 0.005 Å
• α: 100.775 ± 0.019°
• β: 109.714 ± 0.014°
• γ: 93.722 ± 0.018°
• Cell volume: 954.9 ± 0.8 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No