Crystallography Open Database

Information card for entry 4339295

Preview

Coordinates	4339295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H38 B F4 Li N2 O7
Calculated formula	C20 H38 B F4 Li N2 O7
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	11.3765 ± 0.0003 Å
b	12.145 ± 0.0003 Å
c	18.5284 ± 0.0004 Å
α	90°
β	95.049 ± 0.001°
γ	90°
Cell volume	2550.09 ± 0.11 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1091
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1259
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4339295.cif
117256	2014-06-14	cif/ Adding structures of 4339293, 4339294, 4339295, 4339296 via cif-deposit CGI script.	4339295.cif