Crystallography Open Database

Information card for entry 4115654

Preview

Coordinates	4115654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H106 Li6 O8
Calculated formula	C68 H106 Li6 O8
SMILES	[Li]12[O]34[Li]5[O]61[Li]17[O]85[Li]5([O]1([Li]1[O]5([Li]3[O]21c1c(cc(cc1C(c1cc(cc(c61)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)c1c(C(c2c4c(cc(c2)C(C)(C)C)C(C)(C)C)C)cc(cc1C(C)(C)C)C(C)(C)C)CC[O]7CC)[O](CC8)CC
Title of publication	Synthesis, Characterization, and Catalysis of Mixed-Ligand Lithium Aggregates, Excellent Initiators for the Ring-Opening Polymerization of l-Lactide
Authors of publication	Bao-Tsan Ko; Chu-Chieh Lin
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	7973 - 7977
a	14.3036 ± 0.0015 Å
b	18.577 ± 0.002 Å
c	26.811 ± 0.003 Å
α	90°
β	98.519 ± 0.002°
γ	90°
Cell volume	7045.6 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2154
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1824
Weighted residual factors for all reflections included in the refinement	0.2353
Goodness-of-fit parameter for all reflections included in the refinement	0.927
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
178927 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/56.	4115654.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115654.cif
69327	2012-12-11	cif/ Adding structures of 4115654 via cif-deposit CGI script.	4115654.cif