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Information card for entry 2009555
Preview
Coordinates | 2009555.cif |
---|---|
Original IUCr paper | HTML |
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 |
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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 Å3 |
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 |
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