Crystallography Open Database

Information card for entry 7112167

Preview

Coordinates	7112167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H44 N4 O3 S Zn
Calculated formula	C38 H44 N4 O3 S Zn
Title of publication	Highly enantioselective hydroamination to six-membered rings by heterobimetallic catalysts
Authors of publication	Lenard Hussein; Nibadita Purkait; Mustafa Biyikal; Eugenia Tausch; Peter W. Roesky; Siegfried Blechert
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3862
a	8.1989 ± 0.0006 Å
b	11.609 ± 0.0007 Å
c	36.4888 ± 0.0022 Å
α	90°
β	90°
γ	90°
Cell volume	3473 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1339
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	0.806
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
180235 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/21.	7112167.cif
107478	2014-03-19	cif/ Adding structures of 7112165, 7112166, 7112167 via cif-deposit CGI script.	7112167.cif