Crystallography Open Database

Information card for entry 4502394

Preview

Coordinates	4502394.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	lamivudine double strand
Formula	C75 H114 Cl2 N24 O37 S8
Calculated formula	C75 H114 Cl2 N24 O37 S8
Title of publication	From Rational Design of Drug Crystals to Understanding of Nucleic Acid Structures: Lamivudine Duplex
Authors of publication	Martins, Felipe T.; Doriguetto, Antônio C.; Ellena, Javier
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	2
Pages of publication	676
a	14.2219 ± 0.0002 Å
b	25.6079 ± 0.00029 Å
c	15.1754 ± 0.0002 Å
α	90°
β	117.465 ± 0.0005°
γ	90°
Cell volume	4903.86 ± 0.11 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4502394.html