Crystallography Open Database

Information card for entry 1555422

Preview

Coordinates	1555422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Li N2 O
Calculated formula	C16 H18 Li N2 O
SMILES	[Li]([O]1CCCC1)[N](c1ccccc1)=[N](c1ccccc1)[Li]([O]1CCCC1)[N](c1ccccc1)=Nc1ccccc1
Title of publication	Interaction of Azobenzene and Benzalaniline with Strong Amido Bases.
Authors of publication	Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A.
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	24
Pages of publication	6154 - 6157
a	15.9311 ± 0.001 Å
b	9.7436 ± 0.0006 Å
c	9.2498 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1435.81 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
238650 (current)	2019-11-24	cif/ Adding structures of 1555422, 1555423, 1555424, 1555425 via cif-deposit CGI script.	1555422.cif