Crystallography Open Database

Information card for entry 7705252

Preview

Coordinates	7705252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 N2
Calculated formula	C15 H12 N2
SMILES	n1c(cnc2cc(ccc12)C)c1ccccc1
Title of publication	Bonded- and discreted-Lindqvist hexatungstate-based copper hybrids as heterogeneous catalysts for the one-pot synthesis of 2-phenylquinoxalines <i>via</i> 2-haloanilines with vinyl azides or 3-phenyl-2<i>H</i>-azirines.
Authors of publication	Shen, Guodong; Wang, Zeyou; Huang, Xianqiang; Gong, Shuwen; Zhang, Jiangong; Tang, Zhenfei; Sun, Manman; Lv, Xin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	40
Pages of publication	13993 - 13998
a	9.58 ± 0.002 Å
b	4.8156 ± 0.001 Å
c	12.595 ± 0.003 Å
α	90°
β	103.16 ± 0.03°
γ	90°
Cell volume	565.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.091
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.2276
Weighted residual factors for all reflections included in the refinement	0.2693
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258855 (current)	2020-11-06	cif/ Updating files of 7705251, 7705252, 7705253 Original log message: Adding full bibliography for 7705251--7705253.cif.	7705252.cif
255579	2020-08-22	cif/ Adding structures of 7705251, 7705252, 7705253 via cif-deposit CGI script.	7705252.cif