Crystallography Open Database

Information card for entry 4025606

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Structure parameters

Formula	C20 H18 N O5 S
Calculated formula	C20 H18 N O5 S
SMILES	S(=O)(=O)(Nc1c(oc(C)c1C(=O)OCC)c1ccccc1)c1ccccc1
Title of publication	Copper-Catalyzed Multicomponent Reaction: Synthesis of 4-Arylsulfonylimino-4,5-dihydrofuran Derivatives
Authors of publication	Yongjia Shang; Kai Ju; Xinwei He; Jinsong Hu; Shuyan Yu; Min Zhang; Kaisheng Liao; Lifen Wang; Ping Zhang
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	5743 - 5745
a	10.0868 ± 0.0008 Å
b	15.8235 ± 0.0013 Å
c	12.3174 ± 0.001 Å
α	90°
β	99.131 ± 0.001°
γ	90°
Cell volume	1941 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1668
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	No

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