Crystallography Open Database

Information card for entry 7219307

7219306 << 7219307 >> 7219308

Preview

Coordinates	7219307.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-phenylpyridinium pamoate THF solvate
Formula	C49 H42 N2 O7
Calculated formula	C49 H42 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	26.859 ± 0.005 Å
b	10.5583 ± 0.0019 Å
c	15.311 ± 0.003 Å
α	90°
β	119.508 ± 0.002°
γ	90°
Cell volume	3778.8 ± 1.2 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	0.0761
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	7219307.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.	7219307.cif
129679	2015-01-16	cif/ Adding structures of 7219307, 7219308, 7219309, 7219310, 7219311, 7219312, 7219313 via cif-deposit CGI script.	7219307.cif