Crystallography Open Database

Information card for entry 1504166

Preview

Coordinates	1504166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C392 H360 F48 N8 O48 P8
Calculated formula	C384 H320 F36 N8 O46 P6
Title of publication	Complexation of a pentiptycene-based tweezer-like receptor with paraquat derivatives: ion-controlled binding and release of the guests.
Authors of publication	Cao, Jing; Lu, Hai-Yan; You, Xiao-Jun; Zheng, Qi-Yu; Chen, Chuan-Feng
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	19
Pages of publication	4446 - 4449
a	16 ± 0.003 Å
b	24.7 ± 0.005 Å
c	24.3 ± 0.005 Å
α	90°
β	103.4 ± 0.03°
γ	90°
Cell volume	9342 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1706
Residual factor for significantly intense reflections	0.1456
Weighted residual factors for significantly intense reflections	0.3937
Weighted residual factors for all reflections included in the refinement	0.4149
Goodness-of-fit parameter for all reflections included in the refinement	1.521
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
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.	1504166.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504166.cif
39429	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504166 via cif-deposit CGI script.	1504166.cif