Crystallography Open Database

Information card for entry 1504431

Preview

Coordinates	1504431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H63 Ca N3 O2 Si2
Calculated formula	C35 H63 Ca N3 O2 Si2
SMILES	[Ca]12([N](=Cc3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O2)CC[N]1(C)C)([N]([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1.c1ccccc1
Title of publication	Ring-Opening Polymerization of Cyclic Monomers by Complexes Derived from Biocompatible Metals. Production of Poly(lactide), Poly(trimethylene carbonate), and Their Copolymers
Authors of publication	Darensbourg, Donald J.; Choi, Wonsook; Karroonnirun, Osit; Bhuvanesh, Nattamai
Journal of publication	Macromolecules
Year of publication	2008
Journal volume	41
Journal issue	10
Pages of publication	3493
a	21.7989 ± 0.0011 Å
b	10.4434 ± 0.0006 Å
c	17.3961 ± 0.001 Å
α	90°
β	94.427 ± 0.003°
γ	90°
Cell volume	3948.5 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1504431.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504431.cif
42045	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504431 via cif-deposit CGI script.	1504431.cif