Crystallography Open Database

Information card for entry 1506424

Preview

Coordinates	1506424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H69 Li O5
Calculated formula	C45 H69 Li O5
SMILES	[Li](Oc1c(cc(cc1[C@@H](c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)([OH]Cc1ccccc1)([O]1CCCC1)[O]1CCCC1
Title of publication	Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide
Authors of publication	Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh
Journal of publication	Macromolecules
Year of publication	2005
Journal volume	38
Journal issue	23
Pages of publication	9482
a	11.9852 ± 0.001 Å
b	18.9242 ± 0.0016 Å
c	19.5947 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	4444.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1619
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506424.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506424.cif
50305	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506424 via cif-deposit CGI script.	1506424.cif