Crystallography Open Database

Information card for entry 1515503

Preview

Coordinates	1515503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H74 Cl6 F48 N16 P8
Calculated formula	C82 H74 Cl6 F48 N16 P8
Title of publication	A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly
Authors of publication	Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	3
Pages of publication	494
a	10.061 ± 0.01 Å
b	10.107 ± 0.009 Å
c	30.25 ± 0.03 Å
α	94.45 ± 0.03°
β	97.31 ± 0.04°
γ	95.24 ± 0.04°
Cell volume	3026 ± 5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1182
Residual factor for significantly intense reflections	0.1042
Weighted residual factors for all reflections	0.2124
Weighted residual factors for significantly intense reflections	0.1993
Weighted residual factors for all reflections included in the refinement	0.2124
Goodness-of-fit parameter for all reflections included in the refinement	1.0207
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	1515503.cif
111843	2014-04-28	cif/ Adding structures of 1515503, 1515504, 1515505, 1515506, 1515507, 1515508, 1515509, 1515510, 1515511, 1515512, 1515513, 1515514, 1515515, 1515516 via cif-deposit CGI script.	1515503.cif