Crystallography Open Database

Information card for entry 7209719

7209718 << 7209719 >> 7209720

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Structure parameters

Common name	2,3-lutidinium pamoate THF solvate
Formula	C34 H33 N O7
Calculated formula	C34 H33 N O7
Title of publication	Hydrate formation in pyridinium pamoate salts
Authors of publication	Wahl, Helene; Haynes, Delia A.; Roex, Tanya le
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	13
Pages of publication	2450
a	13.7904 ± 0.0006 Å
b	13.029 ± 0.0005 Å
c	16.7784 ± 0.0007 Å
α	90°
β	110.786 ± 0.001°
γ	90°
Cell volume	2818.4 ± 0.2 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	0.0815
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1745
Weighted residual factors for all reflections included in the refinement	0.1909
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
301863 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure.	7209719.cif
180428	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 7/20/97.	7209719.cif
86079	2013-05-09	cif/ Adding structures of 7209719, 7209720, 7209721, 7209722, 7209723, 7209724 via cif-deposit CGI script.	7209719.cif