Crystallography Open Database

Information card for entry 4324880

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Coordinates	4324880.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	C24 H46 N3 Na O
Calculated formula	C24 H46 N3 Na O
SMILES	[Na]12(Oc3c(cc(cc3C(C)(C)C)C)C(C)(C)C)[N](CC[N]1(C)CC[N]2(C)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	10.148 ± 0.0004 Å
b	15.606 ± 0.0006 Å
c	17.101 ± 0.0007 Å
α	90°
β	94.186 ± 0.002°
γ	90°
Cell volume	2701.06 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1344
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1938
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	4324880.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324880.cif
43331	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4324880 via cif-deposit CGI script.	4324880.cif