Crystallography Open Database

Information card for entry 7052566

Preview

Coordinates	7052566.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4.2ETPY
Formula	C123 H135 N7 O20
Calculated formula	C123 H135 N7 O20
Title of publication	Calixarene nanotubes: structural tolerance towards pyridine templates
Authors of publication	Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	1
Pages of publication	28
a	11.5487 ± 0.0007 Å
b	16.1638 ± 0.0009 Å
c	16.4446 ± 0.0011 Å
α	113.729 ± 0.002°
β	92.529 ± 0.002°
γ	95.793 ± 0.002°
Cell volume	2783.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1348
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	7052566.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052566.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052566.cif
14955	2011-03-12	../uploads/cif-deposit/cod/cif Adding structures of 7052566, 7052567 via cif-deposit CGI script.	7052566.cif