Crystallography Open Database

Information card for entry 7230968

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Coordinates	7230968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 N4 O5 S
Calculated formula	C25 H24 N4 O5 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	19.0354 ± 0.0009 Å
b	9.4928 ± 0.0004 Å
c	14.2722 ± 0.0007 Å
α	90°
β	109.631 ± 0.0016°
γ	90°
Cell volume	2429.1 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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