Crystallography Open Database

Information card for entry 4068403

Preview

Coordinates	4068403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 N2 O Zn
Calculated formula	C18 H30 N2 O Zn
SMILES	C(C)[Zn@@]12[N]([C@@H]3[C@H](CCCC3)[N]1(C)C)(C)Cc1ccccc1O2.C(C)[Zn@]12[N]([C@H]3[C@@H](CCCC3)[N]1(C)C)(C)Cc1ccccc1O2
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	9.1548 ± 0.0007 Å
b	12.284 ± 0.0009 Å
c	15.7667 ± 0.0012 Å
α	87.63 ± 0.004°
β	89.522 ± 0.004°
γ	87.107 ± 0.004°
Cell volume	1769.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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.	4068403.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068403.cif
39751	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068401, 4068402, 4068403, 4068404, 4068405 via cif-deposit CGI script.	4068403.cif