Crystallography Open Database

Information card for entry 1543341

Preview

Coordinates	1543341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H43 N2 Ni O2
Calculated formula	C32 H43 N2 Ni O2
Title of publication	Nickel-catalyzed cyclization of alkyne-nitriles with organoboronic acids involving anti-carbometalation of alkynes
Authors of publication	Zhang, Xingjie; Xie, Xin; Liu, Yuanhong
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	9
Pages of publication	5815
a	16.297 ± 0.006 Å
b	17.312 ± 0.007 Å
c	10.642 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3002 ± 2 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1853
Weighted residual factors for all reflections included in the refinement	0.2274
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
186342 (current)	2016-09-10	cif/ Updating files of 1543340, 1543341 Original log message: Adding full bibliography for 1543340--1543341.cif.	1543341.cif
183034	2016-05-20	cif/ Adding structures of 1543340, 1543341 via cif-deposit CGI script.	1543341.cif