Information card for entry 2228773

Structure parameters

• Chemical name: 3-{(<i>E</i>)-[(4-Formylphenyl)iminiumyl]methyl}naphthalen-2-olate
• Formula: C18 H13 N O2
• Calculated formula: C18 H13 N O2
• SMILES: O=C1C=Cc2ccccc2C1=CNc1ccc(cc1)C=O
• Title of publication: 3-{(<i>E</i>)-[(4-Formylphenyl)iminiumyl]methyl}naphthalen-2-olate
• Authors of publication: Farag, Abeer Mohamed; Teoh, Siang Guan; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o143
• a: 7.3685 ± 0.0008 Å
• b: 12.7437 ± 0.0013 Å
• c: 14.4586 ± 0.0015 Å
• α: 90°
• β: 91.979 ± 0.007°
• γ: 90°
• Cell volume: 1356.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1172
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes