Information card for entry 2001030

Structure parameters

• Chemical name: 1-(2,3-Dideoxy-3-fluoro-β-D-erythro-pento-furanosyl)-5-fluorouracil
• Formula: C9 H10 F2 N2 O4
• Calculated formula: C9 H10 F2 N2 O4
• Title of publication: Structure of a nucleoside analogue 2',3'-dideoxy-3',5-difluorouridine
• Authors of publication: Everaert, D. H.; Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.; Van Aerschot, A.; Herdewijn, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 590 - 592
• a: 5.8653 ± 0.0002 Å
• b: 11.1843 ± 0.0007 Å
• c: 15.9975 ± 0.0012 Å
• α: 90°
• β: 93.308 ± 0.004°
• γ: 90°
• Cell volume: 1047.68 ± 0.11 ų
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No