Crystallography Open Database

Information card for entry 7153700

Preview

Coordinates	7153700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H83 F12 N2 O16 P2
Calculated formula	C74 H83 F12 N2 O16 P2
SMILES	[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1c2cc3c4cc2OCCOCCOCCOc2c(OCCOCCOCC1)cc1c(c2)c(c2cc5OCCOCCOCCOc6cc7C4(C)c4ccccc4C3(C)c7cc6OCCOCCOCCOc5cc2c1C)C.[n+]12ccccc1c1[n+](cccc1)CC2
Title of publication	Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.
Authors of publication	Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	18
Pages of publication	2850 - 2853
a	33.928 ± 0.007 Å
b	26.606 ± 0.005 Å
c	41.298 ± 0.008 Å
α	90°
β	112.64 ± 0.03°
γ	90°
Cell volume	34407 ± 14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1696
Residual factor for significantly intense reflections	0.12
Weighted residual factors for significantly intense reflections	0.2932
Weighted residual factors for all reflections included in the refinement	0.3159
Goodness-of-fit parameter for all reflections included in the refinement	1.352
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180323 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/37.	7153700.cif
119664	2014-07-08	cif/7 Fixing Z value / formula for several entries.	7153700.cif
109338	2014-04-10	cif/ Adding structures of 7153699, 7153700, 7153701 via cif-deposit CGI script.	7153700.cif