Crystallography Open Database

Information card for entry 7229764

Preview

Coordinates	7229764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N2 O2 S
Calculated formula	C22 H20 N2 O2 S
SMILES	S(=O)(=O)(/N=C1/N(Cc2ccccc2C1)c1ccccc1)c1ccc(cc1)C
Title of publication	A new and facile approach to 1,2-dihydroisoquinolin-3(4H)-imines by the Cu(i)-catalyzed reaction of 2-ethynylbenzyl methanesulfonates, sulfonyl azides and amines
Authors of publication	Huang, Ying; Yi, Weiyin; Sun, Qihui; Zhang, Lirong; Yi, Fengping
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	1
Pages of publication	74
a	9.7907 ± 0.0003 Å
b	10.0612 ± 0.0003 Å
c	10.7006 ± 0.0003 Å
α	87.711 ± 0.001°
β	85.038 ± 0.001°
γ	61.834 ± 0.001°
Cell volume	925.77 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0308
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
204391 (current)	2017-12-20	cif/ Adding structures of 7229764 via cif-deposit CGI script.	7229764.cif