Crystallography Open Database

Information card for entry 4339293

Preview

Coordinates	4339293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 F6 N2 Na O4 P
Calculated formula	C18 H30 F6 N2 Na O4 P
Title of publication	Wurster's crowns: a comparative study of ortho- and para-phenylenediamine-containing macrocyclic receptors.
Authors of publication	Sibert, John W.; Forshee, Philip B.; Hundt, Greg R.; Sargent, Andrew L.; Bott, Simon G.; Lynch, Vincent
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	25
Pages of publication	10913 - 10925
a	10.5135 ± 0.0002 Å
b	20.3407 ± 0.0003 Å
c	11.1139 ± 0.0002 Å
α	90°
β	103.114 ± 0.001°
γ	90°
Cell volume	2314.75 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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
179495 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/92.	4339293.cif
117256	2014-06-14	cif/ Adding structures of 4339293, 4339294, 4339295, 4339296 via cif-deposit CGI script.	4339293.cif