Crystallography Open Database

Information card for entry 7217317

Preview

Coordinates	7217317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N2 O3
Calculated formula	C22 H20 N2 O3
SMILES	c1c(cccc1[C@H]1C[C@@H](c2ccccc2)c2cc(ccc2N1)OC)N(=O)=O.c1c(cccc1[C@@H]1C[C@H](c2ccccc2)c2cc(ccc2N1)OC)N(=O)=O
Title of publication	Mechanochemical milling promoted solvent-free imino Diels‒Alder reaction catalyzed by FeCl3: diastereoselective synthesis of cis-2, 4-diphenyl-1,2,3,4-tetrahydroquinolines
Authors of publication	Tan, Ya-Jun; Zhang, Ze; Wang, Fang-Jian; Wu, Hao-Hao; Li, Qing-Hai
Journal of publication	RSC Advances
Year of publication	2014
a	9.226 ± 0.005 Å
b	9.609 ± 0.005 Å
c	12.006 ± 0.007 Å
α	84.063 ± 0.013°
β	72.757 ± 0.012°
γ	69.008 ± 0.012°
Cell volume	949.1 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1817
Weighted residual factors for all reflections included in the refinement	0.2167
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
180504 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/73.	7217317.cif
121119	2014-08-05	cif/ Adding structures of 7217316, 7217317 via cif-deposit CGI script.	7217317.cif