Crystallography Open Database

Information card for entry 1519315

1519314 << 1519315 >> 1519316

Preview

Coordinates	1519315.cif

Structure parameters

Formula	C54 H60 N4 O6
Calculated formula	C54 H60 N4 O6
Title of publication	5,17-bis((6-methyl-2-pyridyl)amido)-25,26,27,28-tetrakis(propoxy)calix(4)arene
Authors of publication	Lhotak, P. L.; Stibor, I.; Hursthouse, Michael B.; Light, Mark E.; Prokes, I.; Tucker, J. H. R.; Dudic, M.; Miyaji, H.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	67
a	24.7998 ± 0.0005 Å
b	16.6806 ± 0.0003 Å
c	24.9057 ± 0.0005 Å
α	90°
β	107.161 ± 0.003°
γ	90°
Cell volume	9844.2 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1401
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519315.cif
135666	2015-05-07	cif/ Adding structures of 1519315 via cif-deposit CGI script.	1519315.cif