Crystallography Open Database

Information card for entry 7052137

Preview

Coordinates	7052137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H58 Br2 N2 O4
Calculated formula	C54 H58 Br2 N2 O4
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	37.1517 ± 0.0005 Å
b	37.1517 ± 0.0005 Å
c	19.4231 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	23217 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1749
Weighted residual factors for all reflections included in the refinement	0.1881
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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.	7052137.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052137.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052137.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.	7052137.cif