Crystallography Open Database

Information card for entry 7156781

Preview

Coordinates	7156781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 N3 O2 S
Calculated formula	C20 H17 N3 O2 S
Title of publication	Oxidative sulfonamidomethylation of imidazopyridines utilizing methanol as the main C1 source.
Authors of publication	Zhao, Xue-Mei; Huang, En-Ling; Zhu, Yu-Shen; Li, Jing; Song, Bing; Zhu, Xinju; Hao, Xin-Qi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	19
Pages of publication	4869 - 4878
a	7.316 ± 0.0002 Å
b	19.1755 ± 0.0005 Å
c	12.7269 ± 0.0005 Å
α	90°
β	103.311 ± 0.004°
γ	90°
Cell volume	1737.46 ± 0.1 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	0.0971
Residual factor for significantly intense reflections	0.0913
Weighted residual factors for significantly intense reflections	0.1988
Weighted residual factors for all reflections included in the refinement	0.2019
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225161 (current)	2019-11-08	cif/ Updating files of 7156781 Original log message: Adding full bibliography for 7156781.cif.	7156781.cif
214649	2019-04-16	cif/ Adding structures of 7156781 via cif-deposit CGI script.	7156781.cif