Crystallography Open Database

Information card for entry 7240341

Preview

Coordinates	7240341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H34 N4 O11 S2
Calculated formula	C31 H34 N4 O11 S2
Title of publication	Achievement of enhanced solubility and improved optics in the molecular complexes based on sulfonate-pyridinium supramolecular synthon
Authors of publication	Bhat, Ishtiyaq Ahmad; Ganie, Arshid A.; Dar, Aijaz A. A.
Journal of publication	CrystEngComm
Year of publication	2020
a	10.7014 ± 0.0003 Å
b	16.4238 ± 0.0002 Å
c	17.7316 ± 0.0004 Å
α	90°
β	84.66 ± 0.001°
γ	90°
Cell volume	3102.94 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0385
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7240341.html