Crystallography Open Database

Information card for entry 7060693

Preview

Coordinates	7060693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 N O3 S
Calculated formula	C28 H27 N O3 S
Title of publication	Sulfonyl radical-induced regioselective cyclization of 3-aza-1,5-enynes with sulfonyl chlorides to produce 1,2-dihydropyridines by copper catalysis
Authors of publication	Ding, Ran; Fu, Jian-Ming; Tian, Hai-Yu; Chen, Nian-Shou; Liu, Lei; Guo, Yu; Wang, Pei-Long
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	25
Pages of publication	11030 - 11034
a	9.9944 ± 0.0011 Å
b	16.6828 ± 0.0018 Å
c	16.8624 ± 0.0018 Å
α	117.285 ± 0.003°
β	92.754 ± 0.004°
γ	90.642 ± 0.004°
Cell volume	2494.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1188
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.1941
Weighted residual factors for all reflections included in the refinement	0.2195
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
267221 (current)	2021-07-05	cif/ Updating files of 7060693 Original log message: Adding full bibliography for 7060693.cif.	7060693.cif
265527	2021-05-27	cif/ Adding structures of 7060693 via cif-deposit CGI script.	7060693.cif