Information card for entry 4511545

Structure parameters

• Common name: Lamivudinium hemiOxalate
• Formula: C18 H24 N6 O10 S2
• Calculated formula: C18 H24 N6 O10 S2
• SMILES: S1C[C@H](O[C@H]1CO)N1C(=O)[NH+]=C(C=C1)N.[O-]C(=O)C(=O)[O-].S1[C@@H](O[C@H](N2C(=O)[NH+]=C(C=C2)N)C1)CO
• 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: 6.6714 ± 0.0011 Å
• b: 9.134 ± 0.0015 Å
• c: 37.65 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2294.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No