Crystallography Open Database

Information card for entry 2007999

2007998 << 2007999 >> 2008000

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Structure parameters

Chemical name	(E)-2-Acetoxy-3,3',4'-trimethoxystilbene
Formula	C19 H20 O5
Calculated formula	C19 H20 O5
SMILES	c1(cc(c(cc1)OC)OC)/C=C/c1c(c(ccc1)OC)OC(=O)C
Title of publication	Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy
Authors of publication	Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	12
Pages of publication	1929 - 1934
a	12.8655 ± 0.0002 Å
b	12.0107 ± 0.0002 Å
c	12.4608 ± 0.0001 Å
α	90°
β	117.031 ± 0.001°
γ	90°
Cell volume	1715.15 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0736
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for all reflections	0.1175
Weighted residual factors for significantly intense reflections	0.0956
Goodness-of-fit parameter for all reflections	1.124
Goodness-of-fit parameter for significantly intense reflections	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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