Crystallography Open Database

Information card for entry 8102233

Preview

Coordinates	8102233.cif
External links	ChemSpider

Structure parameters

Chemical name	trans-3,4,5-trimethoxy-4'-hydroxystilbene
Formula	C17 H18 O4
Calculated formula	C17 H18 O4
SMILES	Oc1ccc(cc1)/C=C/c1cc(OC)c(OC)c(OC)c1
Title of publication	Crystal structure of (E)-1-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)-ethene, C17H18O4, a trans-stilbene
Authors of publication	Jian Guo; Baolin Li; Wei Wang; Yitian Lai
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	2
Pages of publication	127
a	5.3692 ± 0.0004 Å
b	13.1524 ± 0.0011 Å
c	22.0043 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1553.9 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0624
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
202018 (current)	2017-10-14	cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	8102233.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102233.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102233.cif
12972	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102233 via cif-deposit CGI script.	8102233.cif