Information card for entry 2015217

Structure parameters

• Chemical name: 2',3'-Didehydro-2',3'-deoxythymidine
• Formula: C10 H12 N2 O4
• Calculated formula: C10 H12 N2 O4
• Title of publication: Stavudine
• Authors of publication: Mirmehrabi, Mahmoud; Rohani, Sohrab; Jennings, Michael C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o695 - o698
• a: 5.423 ± 0.0002 Å
• b: 16.2077 ± 0.0009 Å
• c: 24.0104 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2110.38 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0921
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes