Crystallography Open Database

Information card for entry 7052596

Preview

Coordinates	7052596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H100 Cl2 K2 O32
Calculated formula	C72 H92 Cl2 K2 O32
Title of publication	Controlled self-assembly of bis(crown)stilbenes into unusual bis-sandwich complexes: structure and stereoselective [2+2] photocycloaddition
Authors of publication	Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Basok, Stepan S.; Strelenko, Yuri A.; Alfimov, Michael V.; Howard, Judith A. K.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	3
Pages of publication	724
a	13.9879 ± 0.0009 Å
b	26.9584 ± 0.0019 Å
c	21.0031 ± 0.0015 Å
α	90°
β	103.011 ± 0.004°
γ	90°
Cell volume	7716.8 ± 0.9 Å³
Cell temperature	120 ± 0.2 K
Ambient diffraction temperature	120 ± 0.2 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	0.2154
Residual factor for significantly intense reflections	0.102
Weighted residual factors for significantly intense reflections	0.2778
Weighted residual factors for all reflections included in the refinement	0.311
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
180079 (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 7/05/25.	7052596.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052596.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052596.cif
14962	2011-03-12	../uploads/cif-deposit/cod/cif Adding structures of 7052590, 7052591, 7052592, 7052593, 7052594, 7052595, 7052596 via cif-deposit CGI script.	7052596.cif