Information card for entry 7230546

Structure parameters

• Common name: lamivudine sulfate
• Formula: C16 H24 N6 O10 S3
• Calculated formula: C16 H24 N6 O10 S3
• Title of publication: Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon
• Authors of publication: da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 22
• Pages of publication: 3049
• a: 6.7148 ± 0.0014 Å
• b: 17.982 ± 0.006 Å
• c: 19.374 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2339.3 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No