Crystallography Open Database

Information card for entry 4068402

Preview

Coordinates	4068402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H46 N2 O Zn
Calculated formula	C26 H46 N2 O Zn
SMILES	C1C[C@@H]2[C@@H](CC1)[N](C)(C)[Zn@]1(CC)[N]2(Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C
Title of publication	Unusually Stable Chiral Ethyl Zinc Complexes: Reactivity and Polymerization of Lactide
Authors of publication	Labourdette, Guillaume; Lee, Daniel J.; Patrick, Brian O.; Ezhova, Maria B.; Mehrkhodavandi, Parisa
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	5
Pages of publication	1309
a	11.494 ± 0.003 Å
b	14.886 ± 0.003 Å
c	16.076 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2750.6 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0993
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
178574 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/84.	4068402.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068402.cif
39751	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068401, 4068402, 4068403, 4068404, 4068405 via cif-deposit CGI script.	4068402.cif