Information card for entry 4511806

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 ų
• 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 Fobs: No