Information card for entry 4509890

Structure parameters

• Formula: C12 H23.4 N4 O8.7
• Calculated formula: C12 H23.404 N4 O8.702
• Title of publication: Structural Elucidation of the Neuraminidase Inhibitor Zanamivir (Relenza): Creeping and Diffusion for Polymorph Separation
• Authors of publication: Nath, Naba K.; Yasuda, Nobuhiro; Rabeh, Wael M.; Sahoo, Subash Chandra; Naumov, Panče
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 770
• a: 8.8194 ± 0.0012 Å
• b: 9.2436 ± 0.0014 Å
• c: 20.227 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1649 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• 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: 0.0334
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.61948 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No