Crystallography Open Database

Information card for entry 4113094

Preview

Coordinates	4113094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H41 N2 O P Sn
Calculated formula	C35 H41 N2 O P Sn
SMILES	[Sn]123Oc4c(cc(cc4C(N1c1c(cccc1)[P]3(c1ccccc1)c1ccccc1)[N]2(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Unprecedented Reversible Migration of Amide to Schiff Base Ligands Attached to Tin: Latent Single-Site Initiators for Lactide Polymerization
Authors of publication	Nonsee Nimitsiriwat; Edward L. Marshall; Vernon C. Gibson; Mark R. J. Elsegood; Sophie H. Dale
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	13598 - 13599
a	10.1598 ± 0.0003 Å
b	11.7014 ± 0.0004 Å
c	15.3667 ± 0.0005 Å
α	75.595 ± 0.002°
β	78.587 ± 0.002°
γ	67.167 ± 0.002°
Cell volume	1620.22 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0206
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0484
Weighted residual factors for all reflections included in the refinement	0.0493
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
178901 (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 4/11/30.	4113094.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113094.cif
65514	2012-09-05	cif/ Adding structures of 4113094 via cif-deposit CGI script.	4113094.cif