Crystallography Open Database

Information card for entry 7212719

Preview

Coordinates	7212719.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6-hydroxy-2-naphthoic acid dimethyl sulphoxide solvate
Formula	C24 H14 O7 S
Calculated formula	C24 H14 O7 S
Title of publication	Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation
Authors of publication	Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	3065
a	9.4013 ± 0.001 Å
b	10.0069 ± 0.0011 Å
c	12.2414 ± 0.0013 Å
α	95.15 ± 0.002°
β	109.037 ± 0.002°
γ	90.332 ± 0.002°
Cell volume	1083.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1843
Weighted residual factors for all reflections included in the refinement	0.2046
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
180458 (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 7/21/27.	7212719.cif
93249	2014-01-12	cif/ Adding structures of 7212718, 7212719, 7212720, 7212721, 7212722 via cif-deposit CGI script.	7212719.cif