Crystallography Open Database

Information card for entry 7230047

Preview

Coordinates	7230047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H23 N O2
Calculated formula	C28 H23 N O2
SMILES	Oc1cc(c(c2nc3ccccc3cc2)c(c1)c1ccccc1)c1ccccc1.OC
Title of publication	Catalyst- and solvent-free approach to 2-arylated quinolines via [5 + 1] annulation of 2-methylquinolines with diynones
Authors of publication	Zhao, Hai-Yuan; Wu, Fu-Song; Yang, Li; Liang, Ying; Cao, Xiao-Lin; Wang, Heng-Shan; Pan, Ying-Ming
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	9
Pages of publication	4584
a	10.426 ± 0.002 Å
b	12.933 ± 0.003 Å
c	16.851 ± 0.004 Å
α	90°
β	100.581 ± 0.003°
γ	90°
Cell volume	2233.5 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
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	0.0473
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
205691 (current)	2018-01-26	cif/ Adding structures of 7230047 via cif-deposit CGI script.	7230047.cif