Crystallography Open Database

Information card for entry 4511806

Preview

Coordinates	4511806.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lamivudine Duplex III
Formula	C96 H137.3 N30 O51.66 S10
Calculated formula	C96 H137.3 N30 O51.65 S10
Title of publication	Lamivudine as a Nucleoside Template To Engineer DNA-Like Double-Stranded Helices in Crystals
Authors of publication	Vasconcelos, Alline Torquato; da Silva, Cameron Capeletti; Queiroz Júnior, Luiz Henrique Keng; Santana, Mábio João; Ferreira, Vinicius Sousa; Martins, Felipe Terra
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	9
Pages of publication	4691
a	14.8814 ± 0.0015 Å
b	25.3457 ± 0.0024 Å
c	33.962 ± 0.0028 Å
α	90°
β	90°
γ	90°
Cell volume	12810 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.2233
Residual factor for significantly intense reflections	0.0941
Weighted residual factors for significantly intense reflections	0.2306
Weighted residual factors for all reflections included in the refinement	0.3029
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179665 (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 4/51/18.	4511806.cif
122862	2014-09-06	cif/ Updating files of 4511806 Original log message: Adding full bibliography for 4511806.cif.	4511806.cif
122354	2014-08-22	cif/ Adding structures of 4511806 via cif-deposit CGI script.	4511806.cif