Crystallography Open Database

Information card for entry 7157708

Preview

Coordinates	7157708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 N2 O S
Calculated formula	C23 H20 N2 O S
Title of publication	Chemo- and regioselective synthesis of polysubstituted 2-aminothiophenes by the cyclization of <i>gem</i>-dibromo or <i>gem</i>-dichloroalkenes with β-keto tertiary thioamides.
Authors of publication	Zhang, Xuxue; Liu, Chuan; Deng, Yupian; Cao, Song
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	38
Pages of publication	7540 - 7544
a	7.7469 ± 0.0008 Å
b	17.4348 ± 0.0019 Å
c	14.3624 ± 0.0016 Å
α	90°
β	92.609 ± 0.002°
γ	90°
Cell volume	1937.9 ± 0.4 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	0.0731
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1401
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

Version history

Revision	Date	Message	Files
258978 (current)	2020-11-06	cif/ Updating files of 7157708 Original log message: Adding full bibliography for 7157708.cif.	7157708.cif
256521	2020-09-18	cif/ Adding structures of 7157708 via cif-deposit CGI script.	7157708.cif