Information card for entry 2009555

Structure parameters

• Chemical name: Ethyl (2E,4E,6E)-7-(6-methyl-2H-1-benzopyran-3-yl)hepta-2,4,6-trienoate nom chimique (2E,4E,6E)-7-(6-méthyl-2H-1-benzopyran-3-yl)hepta-2,4,6-triénoate d'éthyle
• Formula: C19 H20 O3
• Calculated formula: C19 H20 O3
• SMILES: CCOC(=O)/C=C/C=C/C=C/C1=Cc2c(OC1)ccc(c2)C
• Title of publication: (2<i>E</i>,4<i>E</i>,6<i>E</i>)-7-(6-Méthyl-2<i>H</i>-1-benzopyran-3-yl)hepta-2,4,6-triénoate d'éthyle
• Authors of publication: Leger, Jean Michel; Carpy, Alain; Belachmi, Larbi; Leblois, Daniéle; Le Baut, Guillaume
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 419 - 421
• a: 11.224 ± 0.004 Å
• b: 8.88 ± 0.003 Å
• c: 11.046 ± 0.004 Å
• α: 101.66 ± 0.04°
• β: 99.69 ± 0.04°
• γ: 125.71 ± 0.04°
• Cell volume: 816.8 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.08
• Goodness-of-fit parameter for significantly intense reflections: 0.362
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No