Crystallography Open Database

Information card for entry 1542360

Preview

Coordinates	1542360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.75 H13.75 N2.25 O1.5
Calculated formula	C16.75 H13.75 N2.25 O1.5
Title of publication	Influence of Coformer Stoichiometric Ratio on Pharmaceutical Cocrystal Dissolution: Three Cocrystals of Carbamazepine/4-Aminobenzoic Acid.
Authors of publication	Li, Zi; Matzger, Adam J.
Journal of publication	Molecular pharmaceutics
Year of publication	2016
Journal volume	13
Journal issue	3
Pages of publication	990 - 995
a	20.3857 ± 0.0006 Å
b	5.1021 ± 0.0001 Å
c	26.5935 ± 0.0019 Å
α	90°
β	95.583 ± 0.009°
γ	90°
Cell volume	2752.9 ± 0.2 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	4
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	0.1811
Residual factor for significantly intense reflections	0.1624
Weighted residual factors for significantly intense reflections	0.4071
Weighted residual factors for all reflections included in the refinement	0.4235
Goodness-of-fit parameter for all reflections included in the refinement	1.767
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181440 (current)	2016-04-04	cif/ Updating files of 1542360 Original log message: Adding full bibliography for 1542360.cif.	1542360.cif
175675	2016-02-04	cif/ Adding structures of 1542360 via cif-deposit CGI script.	1542360.cif