Crystallography Open Database

Information card for entry 1543734

Preview

Coordinates	1543734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 N O4 S2
Calculated formula	C20 H17 N O4 S2
SMILES	c1ccccc1/C=C/N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Title of publication	Copper-catalyzed decarboxylative stereospecific amidation of cinnamic acids with N-fluorobenzenesulfonimide
Authors of publication	Yang, Daoshan; Sun, Mingyang; Wei, Wei; Li, Jin; Sun, Pengfei; Zhang, Qingyun; Tian, Laijin; Wang, Hua
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	76
Pages of publication	72361 - 72365
a	14.0128 ± 0.0017 Å
b	8.8244 ± 0.0011 Å
c	16.431 ± 0.002 Å
α	90°
β	112.361 ± 0.002°
γ	90°
Cell volume	1879 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0952
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1508
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1543734.cif
184654	2016-07-25	cif/ Adding structures of 1543734 via cif-deposit CGI script.	1543734.cif