Crystallography Open Database

Information card for entry 7235249

Preview

Coordinates	7235249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 N O2 S
Calculated formula	C13 H13 N O2 S
Title of publication	Visible light-promoted copper catalyzed regioselective acetamidation of terminal alkynes by arylamines
Authors of publication	Pampana, V. Kishore Kumar; Sagadevan, Arunachalam; Ragupathi, Ayyakkannu; Hwang, Kuo Chu
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	4
Pages of publication	1164 - 1170
a	14.568 ± 0.002 Å
b	5.0757 ± 0.0008 Å
c	16.496 ± 0.003 Å
α	90°
β	102.818 ± 0.005°
γ	90°
Cell volume	1189.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0944
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257588 (current)	2020-10-06	cif/ Updating files of 7235247, 7235248, 7235249 Original log message: Adding full bibliography for 7235247--7235249.cif.	7235249.cif
248992	2020-03-05	cif/ Updating files of 7235247, 7235248, 7235249 Original log message: Adding full bibliography for 7235247--7235249.cif.	7235249.cif
231190	2019-11-22	cif/ Adding structures of 7235247, 7235248, 7235249 via cif-deposit CGI script.	7235249.cif