Crystallography Open Database

Information card for entry 7243302

Preview

Coordinates	7243302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 N2 O14 S3
Calculated formula	C26 H24 N2 O14 S3
SMILES	S(=O)(=O)([O-])c1cc(c(O)cc1)C(=O)O.S(=O)(=O)(c1ccc([NH3+])cc1)c1ccc([NH3+])cc1.S(=O)(=O)([O-])c1cc(C(=O)O)c(O)cc1
Title of publication	New insight into improving the solubility of poorly soluble drugs by preventing the formation of their hydrogen-bonds: a case of dapsone salts with camphorsulfonic and 5-sulfosalicylic acid
Authors of publication	Wu, Yanhui; Hao, Xiujia; Li, Jianting; Guan, Aiying; Zhou, Zhengzheng; Guo, Fang
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	35
Pages of publication	6191 - 6198
a	39.252 ± 0.005 Å
b	13.2429 ± 0.0016 Å
c	11.3983 ± 0.0015 Å
α	90°
β	103.326 ± 0.003°
γ	90°
Cell volume	5765.4 ± 1.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
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	0.0741
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1554
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
269688 (current)	2021-10-06	cif/ Updating files of 7243301, 7243302 Original log message: Adding full bibliography for 7243301--7243302.cif.	7243302.cif
267844	2021-07-31	cif/ Adding structures of 7243301, 7243302 via cif-deposit CGI script.	7243302.cif