Crystallography Open Database

Information card for entry 4502712

Preview

Coordinates	4502712.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	didanosine
Chemical name	2',3'-dideoxyinosine 0.125-hydrate
Formula	C10 H12.25 N4 O3.125
Calculated formula	C10 H12 N4 O3.125
Title of publication	Solvothermal Preparation of Drug Crystals: Didanosine
Authors of publication	Martins, Felipe T.; Legendre, Alexandre O.; Honorato, Sara B.; Ayala, Alejandro P.; Doriguetto, Antônio C.; Ellena, Javier
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	4
Pages of publication	1885
a	7.277 ± 0.001 Å
b	10.052 ± 0.002 Å
c	14.476 ± 0.003 Å
α	90°
β	93.71 ± 0.01°
γ	90°
Cell volume	1056.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1456
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
179558 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/27.	4502712.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502712.cif
36532	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502712 via cif-deposit CGI script.	4502712.cif