Crystallography Open Database

Information card for entry 2214526

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Structure parameters

Chemical name	(3<i>E</i>,4<i>E</i>)-3-(1,3-Benzodioxol-5-ylmethylene)-4-\ (1-phenylethylidene)tetrahydrofuran-2,5-dione
Formula	C20 H14 O5
Calculated formula	C20 H14 O5
SMILES	c1ccc(cc1)C(=C1/C(=O)OC(=O)/C1=C/c1cc2c(cc1)OCO2)/C
Title of publication	(3<i>E</i>,4<i>E</i>)-3-(1,3-Benzodioxol-5-ylmethylene)-4-(1-phenylethylidene)tetrahydrofuran-2,5-dione
Authors of publication	Zheng, Liang-Wen; Dong, Wen-Liang; Zhang, Jin-Hua; Zhao, Bao-Xiang
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	8
Pages of publication	o3567 - o3567
a	7.2201 ± 0.0002 Å
b	18.0627 ± 0.0005 Å
c	12.2046 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1591.66 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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