Crystallography Open Database

Information card for entry 7052138

Preview

Coordinates	7052138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H61 N4 O5 S
Calculated formula	C59 H61 N4 O5 S
Title of publication	Ionic core‒shell dendrimers with a polycationic core: structural aspects and host‒guest binding properties
Authors of publication	van de Coevering, Rob; Bruijnincx, Pieter C. A.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	7
Pages of publication	1337
a	9.9322 ± 0.0002 Å
b	13.9718 ± 0.0002 Å
c	19.304 ± 0.0004 Å
α	100.327 ± 0.001°
β	92.3451 ± 0.0008°
γ	103.829 ± 0.0009°
Cell volume	2549.18 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
180075 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/21.	7052138.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052138.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052138.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7052138.cif