Crystallography Open Database

Information card for entry 7112166

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Coordinates	7112166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H40 Cl2 Cu N4 O2
Calculated formula	C37 H40 Cl2 Cu N4 O2
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	30.212 ± 0.002 Å
b	7.0191 ± 0.0006 Å
c	16.0347 ± 0.0015 Å
α	90°
β	90.159 ± 0.008°
γ	90°
Cell volume	3400.3 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
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.	7112166.cif
107478	2014-03-19	cif/ Adding structures of 7112165, 7112166, 7112167 via cif-deposit CGI script.	7112166.cif