Information card for entry 4506971

Structure parameters

• Common name: Hexagram-Type Topology Lamivudine Duplex
• Chemical name: lamivudine 0.67-hydrate
• Formula: C24 H37 N9 O11 S3
• Calculated formula: C24 H37 N9 O11 S3
• Title of publication: Base-Paired and Base-Stacked Structures of the Anti-HIV Drug Lamivudine: A Nucleoside DNA-Mimicry with Unprecedented Topology
• Authors of publication: Ellena, Javier; Bocelli, Marcio D.; Honorato, Sara B.; Ayala, Alejandro P.; Doriguetto, Antônio C.; Martins, Felipe T.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 5138
• a: 14.55 ± 0.001 Å
• b: 14.55 ± 0.001 Å
• c: 29.538 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5415.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 172
• Hermann-Mauguin space group symbol: P 64
• Hall space group symbol: P 64
• Residual factor for all reflections: 0.1574
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2395
• Weighted residual factors for all reflections included in the refinement: 0.2677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No