Crystallography Open Database

Information card for entry 4317517

Preview

Coordinates	4317517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H69 Al N2 O3
Calculated formula	C48 H69 Al N2 O3
Title of publication	Ligand-Tetrahydrofuran Coupling in Chelated Aluminum Phosphinates
Authors of publication	Y. Wang; S. Parkin; D. Atwood
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	558 - 565
a	35.539 ± 0.006 Å
b	10.287 ± 0.0015 Å
c	27.986 ± 0.005 Å
α	90°
β	119.965 ± 0.004°
γ	90°
Cell volume	8864 ± 3 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1198
Residual factor for significantly intense reflections	0.0908
Weighted residual factors for significantly intense reflections	0.2042
Weighted residual factors for all reflections included in the refinement	0.2195
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179255 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/75.	4317517.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317517.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317517.cif
12266	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4317517 via cif-deposit CGI script.	4317517.cif