Information card for entry 2240111

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-[(<i>E</i>)-3-(4-Methoxyphenyl)allylidene]naphthalen-1-amine
• Formula: C20 H17 N O
• Calculated formula: C20 H17 N O
• SMILES: O(c1ccc(/C=C/C=N/c2cccc3ccccc23)cc1)C
• Title of publication: Crystal structure of (<i>E</i>)-<i>N</i>-[(<i>E</i>)-3-(4-methoxyphenyl)allylidene]naphthalen-1-amine
• Authors of publication: Lee, Jae Kyun; Cha, Joo Hwan; Cho, Yong Seo; Min, Sun-Joon; Lee, Joon Kyun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: o1174
• a: 7.8278 ± 0.0008 Å
• b: 9.8931 ± 0.001 Å
• c: 11.3929 ± 0.0013 Å
• α: 69.307 ± 0.003°
• β: 73.561 ± 0.003°
• γ: 81.375 ± 0.003°
• Cell volume: 790.39 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes