Crystallography Open Database

Information card for entry 2238893

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Structure parameters

Chemical name	(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
Formula	C19 H20 O6
Calculated formula	C19 H20 O6
SMILES	COc1cc(OC)c(c(c1)OC)/C=C/C(=O)c1c(O)cccc1OC
Title of publication	(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
Authors of publication	Koh, Dongsoo
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	o1809
a	7.2509 ± 0.0011 Å
b	15.67 ± 0.002 Å
c	14.529 ± 0.002 Å
α	90°
β	99.579 ± 0.003°
γ	90°
Cell volume	1627.8 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
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	0.1382
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	0.833
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2238893.cif
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238893.cif
92264	2014-01-12	cif/ Adding structures of 2238893 via cif-deposit CGI script.	2238893.cif