Crystallography Open Database

Information card for entry 4109899

Preview

Coordinates	4109899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H32 N3 O3.5
Calculated formula	C31 H28 N3 O2.5
SMILES	N([C@@H](c1c2c(ccc1)cccc2)C)C(=O)c1nc(ccc1)C(=O)N[C@H](C)c1cccc2c1cccc2.O
Title of publication	Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles
Authors of publication	Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	10986 - 10987
a	20.423 ± 0.002 Å
b	20.423 ± 0.002 Å
c	13.688 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5709.3 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109899.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109899.cif
58677	2012-05-29	cif/ Adding structures of 4109899 via cif-deposit CGI script.	4109899.cif