Information card for entry 2003648

Structure parameters

• Chemical name: 2',3'-dideoxy-3'-C-2'-N-[N(R)-methyl-5-(R)-ethoxycarbonyl-1,2-isoxazolidine] ribothymidine
• Formula: C15 H21 N3 O7
• Calculated formula: C15 H21 N3 O7
• Title of publication: 2',3'-Dideoxy-3'-<i>C</i>,2'-<i>N</i>-[(3<i>R</i>,5<i>R</i>)-5-ethoxycarbonyl-2-methyl-1,2-isoxazolidine]ribothymidine
• Authors of publication: Burkhart, B. M.; Papchikhin, A.; Chattopadhyaya, J.; Sundaralingam, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1462 - 1464
• a: 5.502 ± 0.001 Å
• b: 15.384 ± 0.001 Å
• c: 9.918 ± 0.002 Å
• α: 90°
• β: 93.43 ± 0.02°
• γ: 90°
• Cell volume: 838 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.1311
• Weighted residual factors for significantly intense reflections: 0.0834
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No