Crystallography Open Database

Information card for entry 2007998

2007997 << 2007998 >> 2007999

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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	12.4168 ± 0.0007 Å
b	12.9562 ± 0.0007 Å
c	12.2833 ± 0.0007 Å
α	97.641 ± 0.007°
β	113.547 ± 0.007°
γ	77.483 ± 0.007°
Cell volume	1766.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0806
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for all reflections	0.1534
Weighted residual factors for significantly intense reflections	0.1299
Goodness-of-fit parameter for all reflections	1.033
Goodness-of-fit parameter for significantly intense reflections	1.112
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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