Crystallography Open Database

Information card for entry 1547571

Preview

Coordinates	1547571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H50 Cu N4 O10
Calculated formula	C32 H50 Cu N4 O10
Title of publication	Copper- or Nickel-Enabled Oxidative Cross-Coupling of Unreactive C(sp(3))-H Bonds with Azole C(sp(2))-H Bonds: Rapid Access to β-Azolyl Propanoic Acid Derivatives.
Authors of publication	Tan, Guangying; Zhang, Luoqiang; Liao, Xingrong; Shi, Yang; Wu, Yimin; Yang, Yudong; You, Jingsong
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	18
Pages of publication	4830 - 4833
a	10.8093 ± 0.0007 Å
b	12.3197 ± 0.0011 Å
c	14.2754 ± 0.0008 Å
α	88.759 ± 0.006°
β	86.694 ± 0.005°
γ	66.762 ± 0.007°
Cell volume	1743.9 ± 0.2 Å³
Cell temperature	119.97 ± 0.18 K
Ambient diffraction temperature	119.97 ± 0.18 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1242
Residual factor for significantly intense reflections	0.1055
Weighted residual factors for significantly intense reflections	0.2801
Weighted residual factors for all reflections included in the refinement	0.2911
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation probe	x-ray
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
201722 (current)	2017-10-05	cif/ Adding structures of 1547571 via cif-deposit CGI script.	1547571.cif