Crystallography Open Database

Information card for entry 1553049

Preview

Coordinates	1553049.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cd214703
Formula	C26 H28 Cl N O3 S Si
Calculated formula	C26 H28 Cl N O3 S Si
SMILES	S(=O)(=O)(N1c2ccc(Cl)cc2C(=C\[Si](C)(C)C)/C(O)(C1)c1ccccc1)c1ccc(cc1)C
Title of publication	Cationic Pd(ii)-catalyzed cyclization of N-tosyl-aniline tethered alkynyl ketones initiated by hydropalladation of alkynes: a facile way to 1,2-dihydro or 1,2,3,4-tetrahydroquinoline derivatives
Authors of publication	Shen, Kun; Han, Xiuling; Xia, Guoqin; Lu, Xiyan
Journal of publication	Organic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	2
Pages of publication	145
a	32.673 ± 0.002 Å
b	12.2122 ± 0.0008 Å
c	12.9554 ± 0.0009 Å
α	90°
β	92.633 ± 0.002°
γ	90°
Cell volume	5163.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
233000 (current)	2019-11-23	cif/ Adding structures of 1553048, 1553049 via cif-deposit CGI script.	1553049.cif