Crystallography Open Database

Information card for entry 4115653

Preview

Coordinates	4115653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H102 Li6 O6
Calculated formula	C74 H102 Li6 O6
SMILES	[Li]12[O]34[Li]5[O]61[Li]1[O]5([Li]5[O]1([Li]1[O]5([Li]3[O]21c1c(C(c2c6c(cc(c2)C(C)(C)C)C(C)(C)C)C)cc(cc1C(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)Cc1ccccc1)Cc1ccccc1
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	15.116 ± 0.003 Å
b	15.529 ± 0.003 Å
c	18.533 ± 0.004 Å
α	112.709 ± 0.004°
β	96.635 ± 0.004°
γ	109.956 ± 0.004°
Cell volume	3615.5 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1502
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for significantly intense reflections	0.1886
Weighted residual factors for all reflections included in the refinement	0.2247
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	4115653.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115653.cif
69326	2012-12-11	cif/ Adding structures of 4115653 via cif-deposit CGI script.	4115653.cif