Crystallography Open Database

Information card for entry 1519316

1519315 << 1519316 >> 1519317

Preview

Coordinates	1519316.cif

Structure parameters

Formula	C54 H61 N4 O6
Calculated formula	C54 H61 N4 O6
Title of publication	5,17-bis((2-pyridyl)methylamido)-25,26,27,28-tetrakis(propoxy)calix(4)arene
Authors of publication	Stibor, I.; Hursthouse, Michael B.; Light, Mark E.; Prokes, I.; Tucker, J. H. R.; Dudic, M.; Miyaji, H.; Lhotak, P. L.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	68
a	20.5733 ± 0.0004 Å
b	17.9742 ± 0.0003 Å
c	25.3788 ± 0.0005 Å
α	90°
β	101.582 ± 0.003°
γ	90°
Cell volume	9193.7 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.2027
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.1866
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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.	1519316.cif
135667	2015-05-07	cif/ Adding structures of 1519316 via cif-deposit CGI script.	1519316.cif