Crystallography Open Database

Information card for entry 4514209

Preview

Coordinates	4514209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H32 Cl2 N6
Calculated formula	C35 H32 Cl2 N6
Title of publication	Cp*CoIII-Catalyzed Branch-Selective Hydroarylation of Alkynes via C‒H Activation: Efficient Access to α-gem-Vinylindoles
Authors of publication	Zhou, Xukai; Luo, Yixin; Kong, Lingheng; Xu, Youwei; Zheng, Guangfan; Lan, Yu; Li, Xingwei
Journal of publication	ACS Catalysis
Year of publication	2017
Journal volume	7
Journal issue	10
Pages of publication	7296
a	11.9189 ± 0.0008 Å
b	11.9269 ± 0.0008 Å
c	13.6776 ± 0.0009 Å
α	89.671 ± 0.005°
β	67.67 ± 0.006°
γ	63.388 ± 0.007°
Cell volume	1575.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0865
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.1908
Goodness-of-fit parameter for all reflections included in the refinement	0.929
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
202649 (current)	2017-11-07	cif/ Updating files of 4514209 Original log message: Adding full bibliography for 4514209.cif.	4514209.cif
201309	2017-09-27	cif/ Adding structures of 4514209 via cif-deposit CGI script.	4514209.cif