Crystallography Open Database

Information card for entry 4508321

Preview

Coordinates	4508321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H70.5 N2 O14.25
Calculated formula	C50 H70.52 N2 O14.25
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	13.849 ± 0.004 Å
b	24.297 ± 0.006 Å
c	7.644 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2572.1 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1441
Residual factor for significantly intense reflections	0.0948
Weighted residual factors for significantly intense reflections	0.2304
Weighted residual factors for all reflections included in the refinement	0.2695
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4508321.cif
89003	2013-10-09	cif/ Adding structures of 4508321, 4508322, 4508323 via cif-deposit CGI script.	4508321.cif