Crystallography Open Database

Information card for entry 1556083

Preview

Coordinates	1556083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 N3 O
Calculated formula	C18 H21 N3 O
Title of publication	Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics
Authors of publication	Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	3
Pages of publication	684 - 693
a	8.63 ± 0.005 Å
b	15.205 ± 0.007 Å
c	12.2 ± 0.009 Å
α	90°
β	105.42 ± 0.04°
γ	90°
Cell volume	1543.2 ± 1.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257426 (current)	2020-10-06	cif/ Updating files of 1556080, 1556081, 1556082, 1556083 Original log message: Adding full bibliography for 1556080--1556083.cif.	1556083.cif
247650	2020-02-04	cif/ Updating files of 1556080, 1556081, 1556082, 1556083 Original log message: Adding full bibliography for 1556080--1556083.cif.	1556083.cif
242564	2019-11-26	cif/ Adding structures of 1556080, 1556081, 1556082, 1556083 via cif-deposit CGI script.	1556083.cif