Crystallography Open Database

Information card for entry 4512177

Preview

Coordinates	4512177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H72 Br3 Li3 O36
Calculated formula	C36 H72 Br3 Li3 O36
Title of publication	Physical Stability Enhancement and Pharmacokinetics of a Lithium Ionic Cocrystal with Glucose
Authors of publication	Duggirala, Naga Kiran; Smith, Adam J.; Wojtas, Łukasz; Shytle, R. Douglas; Zaworotko, Michael J.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	11
Pages of publication	6135
a	16.2665 ± 0.0002 Å
b	16.2665 ± 0.0002 Å
c	17.0945 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	3917.2 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179668 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/21.	4512177.cif
126845	2014-11-11	cif/ Updating files of 4512177 Original log message: Adding full bibliography for 4512177.cif.	4512177.cif
125675	2014-10-22	cif/ Adding structures of 4512177 via cif-deposit CGI script.	4512177.cif