Crystallography Open Database

Information card for entry 7230973

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Coordinates	7230973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 N4 O5 S
Calculated formula	C26 H28 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	17.559 Å
b	17.5588 ± 0.0013 Å
c	8.3081 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2561.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1454
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	0.917
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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