Crystallography Open Database

Information card for entry 7205649

7205648 << 7205649 >> 7205650

Preview

Coordinates	7205649.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-picolinium pamoate THF solvate
Formula	C33 H31 N O7
Calculated formula	C33 H31 N O7
Title of publication	Solvate formation in lutidinium pamoate salts: a systematic study
Authors of publication	Wahl, Helene; Haynes, Delia A.; le Roex, Tanya
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	7
Pages of publication	2227
a	13.8694 ± 0.0011 Å
b	12.7194 ± 0.001 Å
c	16.5587 ± 0.0013 Å
α	90°
β	111.16 ± 0.001°
γ	90°
Cell volume	2724.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
180387 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/56.	7205649.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205649.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205649.cif
20979	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205637, 7205638, 7205639, 7205640, 7205641, 7205642, 7205643, 7205644, 7205645, 7205646, 7205647, 7205648, 7205649, 7205650, 7205651, 7205652 via cif-deposit CGI script.	7205649.cif