Crystallography Open Database

Information card for entry 7230972

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Coordinates	7230972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 N4 O4 S
Calculated formula	C18 H20 N4 O4 S
Title of publication	Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters
Authors of publication	Sun, Jing; Zhang, Yu; Yan, Chao-Guo
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	40
Pages of publication	22498
a	6.0489 ± 0.0003 Å
b	11.7701 ± 0.0006 Å
c	14.2912 ± 0.0007 Å
α	106.846 ± 0.0017°
β	91.1007 ± 0.0018°
γ	94.0053 ± 0.0019°
Cell volume	970.61 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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