Information card for entry 2202219

Structure parameters

• Common name: 4-(E)-But-1-enyl-2,6-dimethoxyphenyl nicotinate
• Chemical name: 4-(E)-But-1-enyl-2,6-dimethoxyphenyl pyridine-3-carboxylate
• Formula: C18 H19 N O4
• Calculated formula: C18 H19 N O4
• SMILES: O(c1c(cc(cc1OC)/C=C/CC)OC)C(=O)c1cnccc1
• Title of publication: 4-(<i>E</i>)-But-1-enyl-2,6-dimethoxyphenyl nicotinate
• Authors of publication: Palusiak, Marcin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o854 - o856
• a: 9.105 ± 0.002 Å
• b: 22.729 ± 0.003 Å
• c: 8.157 ± 0.003 Å
• α: 90°
• β: 98.47 ± 0.02°
• γ: 90°
• Cell volume: 1669.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1029
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes