Information card for entry 4511546

Structure parameters

• Common name: Lamivudinium Oxalate monohydrate
• Formula: C10 H15 N3 O8 S
• Calculated formula: C10 H15 N3 O8 S
• SMILES: S1[C@@H](O[C@H](n2ccc(N)[nH+]c2=O)C1)CO.O=C(O)C(=O)[O-].O
• Title of publication: Design and Preparation of a 4:1 Lamivudine‒Oxalic Acid CAB Cocrystal for Improving the Lamivudine Purification Process
• Authors of publication: Perumalla, Sathyanarayana R.; Sun, Changquan C.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 3990
• a: 8.6175 ± 0.0009 Å
• b: 24.679 ± 0.003 Å
• c: 13.4297 ± 0.0014 Å
• α: 90°
• β: 101.002 ± 0.001°
• γ: 90°
• Cell volume: 2803.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No