Crystallography Open Database

Information card for entry 4119056

4119055 << 4119056 >> 4119057

Preview

Coordinates	4119056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H94 F K N4 O12
Calculated formula	C79 H82 F K N4 O10
Title of publication	KF and CsF Recognition and Extraction by a Calix[4]crown-5 Strapped Calix[4]pyrrole Multitopic Receptor
Authors of publication	Sung Kuk Kim; Vincent M. Lynch; Neil J. Young; Benjamin P. Hay; Chang-Hee Lee; Jong Seung Kim; Bruce A. Moyer; Jonathan L. Sessler
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	20837 - 20843
a	36.554 ± 0.004 Å
b	15.5755 ± 0.0008 Å
c	12.4572 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7092.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.2
Residual factor for significantly intense reflections	0.1404
Weighted residual factors for significantly intense reflections	0.2471
Weighted residual factors for all reflections included in the refinement	0.2783
Goodness-of-fit parameter for all reflections included in the refinement	1.196
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4119056.html