Crystallography Open Database

Information card for entry 2312497

Preview

Coordinates	2312497.cif
Original IUCr paper	HTML

Structure parameters

Formula	C24 H26 Cl4 N10 O3
Calculated formula	C24 H26 Cl4 N10 O3
Title of publication	Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Authors of publication	Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2024
Journal volume	80
Journal issue	3
a	10.2684 ± 0.0012 Å
b	10.7665 ± 0.0006 Å
c	14.9036 ± 0.0012 Å
α	71.197 ± 0.006°
β	78.435 ± 0.008°
γ	74.957 ± 0.007°
Cell volume	1493.9 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0924
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.2061
Weighted residual factors for all reflections included in the refinement	0.2359
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291812 (current)	2024-05-11	cif/ Adding structures of 2312486, 2312487, 2312488, 2312489, 2312490, 2312491, 2312492, 2312493, 2312494, 2312495, 2312496, 2312497 via cif-deposit CGI script.	2312497.cif