Crystallography Open Database

Information card for entry 2239098

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Structure parameters

Common name	2,4,4'-Triethyl acetateoxy chalcone
Chemical name	Ethyl 2-[4-(2-{2,4-bis[(ethoxycarbonyl)methoxy]benzoyl}ethenyl)phenoxy]acetate
Formula	C27 H30 O10
Calculated formula	C27 H30 O10
SMILES	CCOC(=O)COc1cc(OCC(=O)OCC)ccc1C(=O)/C=C/c1ccc(cc1)OCC(=O)OCC
Title of publication	The chalcone ethyl 2-[4-(2-{2,4-bis[(ethoxycarbonyl)methoxy]benzoyl}ethenyl)phenoxy]acetate
Authors of publication	Liu, Xiaofeng
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	1
Pages of publication	o51
a	7.8225 ± 0.0016 Å
b	13.579 ± 0.003 Å
c	13.78 ± 0.003 Å
α	63.004 ± 0.003°
β	87.157 ± 0.004°
γ	83.377 ± 0.004°
Cell volume	1295.5 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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 all reflections	0.0809
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.173
Weighted residual factors for all reflections included in the refinement	0.1775
Goodness-of-fit parameter for all reflections included in the refinement	1.196
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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