Crystallography Open Database

Information card for entry 1555870

Preview

Coordinates	1555870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 N O2
Calculated formula	C20 H21 N O2
SMILES	O=C1c2c(C[C@@]1(C(=O)NC(C)(C)C)c1ccccc1)cccc2
Title of publication	Nickel(II)-Catalyzed Enantioselective α-Vinylation of β-Keto Amides/Esters with Hypervalent Iodine Salts.
Authors of publication	Guo, Jing; Lin, Lili; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Feng, Xiaoming
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	21
Pages of publication	5540 - 5543
a	7.0663 ± 0.0004 Å
b	8.3624 ± 0.0005 Å
c	8.9048 ± 0.0007 Å
α	115.442 ± 0.007°
β	109.848 ± 0.006°
γ	92.591 ± 0.005°
Cell volume	435.48 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1484
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation probe	x-ray
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
239195 (current)	2019-11-24	cif/ Adding structures of 1555870 via cif-deposit CGI script.	1555870.cif