Information card for entry 4512520

Structure parameters

• Formula: C44 H72 N10 O17 P2
• Calculated formula: C44 H72 N10 O17 P2
• Title of publication: Expanding the Crystal Form Landscape of the Antiviral Drug Adefovir Dipivoxil
• Authors of publication: Prohens, Rafel; Barbas, Rafael; Portell, Anna; Font-Bardia, Mercè; Alcobé, Xavier; Puigjaner, Cristina
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 475
• a: 10.3496 ± 0.0005 Å
• b: 12.0188 ± 0.0006 Å
• c: 12.9829 ± 0.0006 Å
• α: 115.175 ± 0.002°
• β: 105.644 ± 0.002°
• γ: 98.228 ± 0.002°
• Cell volume: 1344.4 ± 0.12 ų
• Cell temperature: 117 ± 2 K
• Ambient diffraction temperature: 117 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No