Information card for entry 2010991

Structure parameters

• Chemical name: Ethyl E-2-Cyano-3-(8-dimethylaminonaphth-1-yl)propenoate
• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• SMILES: O=C(OCC)/C(=C/c1cccc2cccc(N(C)C)c12)C#N
• Title of publication: Interaction between a dimethylamino group and an electron-deficient alkene in ethyl (<i>E</i>)-2-cyano-3-(8-dimethylamino-1-naphthyl)propenoate
• Authors of publication: Paul C. Bell; Marie Drameh; Nicola Hanley; John D. Wallis
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 670 - 671
• a: 8.3856 ± 0.0004 Å
• b: 9.727 ± 0.0004 Å
• c: 11.186 ± 0.0005 Å
• α: 69.274 ± 0.003°
• β: 68.037 ± 0.003°
• γ: 70.933 ± 0.003°
• Cell volume: 771.31 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.068
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.1575
• Weighted residual factors for significantly intense reflections: 0.1435
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No