Crystallography Open Database

Information card for entry 4324882

Preview

Coordinates	4324882.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	C36 H68 N6 Na2 O2
Calculated formula	C36 H68 N6 Na2 O2
SMILES	[Na]123([O](c4c(cc(cc4C)C)C)[Na]45([O]1c1c(cc(cc1C)C)C)[N](CC[N]5(C)CC[N]4(C)C)(C)C)[N](CC[N]2(C)C)(CC[N]3(C)C)C
Title of publication	Polyamine-Stabilized Sodium Aryloxides: Simple Initiators for the Ring-Opening Polymerization of rac-Lactide
Authors of publication	Beatriz Calvo; Matthew G. Davidson; Daniel García-Vivó
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	3589 - 3595
a	11.447 ± 0.0002 Å
b	13.609 ± 0.0003 Å
c	15.049 ± 0.0003 Å
α	94.088 ± 0.001°
β	106.349 ± 0.001°
γ	114.669 ± 0.001°
Cell volume	1995.78 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0919
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.151
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
179351 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/48.	4324882.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324882.cif
43333	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4324882 via cif-deposit CGI script.	4324882.cif