Crystallography Open Database

Information card for entry 4508323

Preview

Coordinates	4508323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H110 O42 Rb4
Calculated formula	C111 H106 O42 Rb4
Title of publication	Formation of Calix[4]arene-Based Supramolecular Gels Triggered by K+and Rb+: Exemplification of a Structure‒Property Relationship
Authors of publication	Hwang, Doomi; Lee, Eunji; Jung, Jong Hwa; Lee, Shim Sung; Park, Ki-Min
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	10
Pages of publication	4177
a	30.8147 ± 0.0005 Å
b	19.4575 ± 0.0003 Å
c	17.468 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	10473.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1717
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.1597
Weighted residual factors for all reflections included in the refinement	0.1877
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
179619 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/83.	4508323.cif
89003	2013-10-09	cif/ Adding structures of 4508321, 4508322, 4508323 via cif-deposit CGI script.	4508323.cif