Crystallography Open Database

Information card for entry 7160061

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Coordinates	7160061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 N O2 S
Calculated formula	C14 H13 N O2 S
Title of publication	Na<sub>2</sub>CO<sub>3</sub>-promoted synthesis of thiocarbamates from isocyanates and thiols under mild conditions.
Authors of publication	Gong, Yingbin; Yan, Leilei; Guo, Zhiqiang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	31
Pages of publication	6277 - 6281
a	13.3641 ± 0.0008 Å
b	11.7805 ± 0.0007 Å
c	8.6325 ± 0.0005 Å
α	90°
β	107.97 ± 0.002°
γ	90°
Cell volume	1292.77 ± 0.13 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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