Crystallography Open Database

Information card for entry 7219310

7219309 << 7219310 >> 7219311

Preview

Coordinates	7219310.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-phenylpyridinium pamoate acetone solvate
Formula	C48 H40 N2 O7
Calculated formula	C48 H40 N2 O7
Title of publication	A highly selective host based on the pamoate ion
Authors of publication	Wahl, Helene; Haynes, Delia A.; le Roex, Tanya
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	7
Pages of publication	1549
a	27.121 ± 0.006 Å
b	10.418 ± 0.002 Å
c	15.424 ± 0.003 Å
α	90°
β	118.915 ± 0.003°
γ	90°
Cell volume	3814.7 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.1206
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
180524 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93.	7219310.cif
133157	2015-03-06	cif/ Updating files of 7219307, 7219308, 7219309, 7219310, 7219311, 7219312, 7219313 Original log message: Adding full bibliography for 7219307--7219313.cif.	7219310.cif
129679	2015-01-16	cif/ Adding structures of 7219307, 7219308, 7219309, 7219310, 7219311, 7219312, 7219313 via cif-deposit CGI script.	7219310.cif