Crystallography Open Database

Information card for entry 2204521

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Structure parameters

Chemical name	Methyl 2-(2-{1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2- (dimethylamino)vinyloxy}phenyl)-3-(dimethylamino)acrylate
Formula	C26 H30 N4 O6
Calculated formula	C26 H30 N4 O6
SMILES	O(c1c(C(=C\N(C)C)/C(=O)OC)cccc1)\C(=C/N(C)C)c1onc(n1)c1cc(OC)cc(OC)c1
Title of publication	Methyl 2-(2-{1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyloxy}phenyl)-3-(dimethylamino)acrylate
Authors of publication	Chen, Jia-Hui; Wang, Hai-Bo; Pu, Yue-Qing; Wang, Jin-Tang
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	o2070 - o2072
a	8.65 ± 0.0017 Å
b	10.7 ± 0.002 Å
c	14.817 ± 0.003 Å
α	107.66 ± 0.03°
β	97.5 ± 0.03°
γ	95.15 ± 0.03°
Cell volume	1283.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.178
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.2113
Weighted residual factors for all reflections included in the refinement	0.2606
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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