Information card for entry 2221976

Structure parameters

• Common name: capecitabine
• Chemical name: 5-deoxy-5-fluoro-<i>N</i>-(pentyloxycarbonyl)cytidine
• Formula: C15 H22 F N3 O6
• Calculated formula: C15 H22 F N3 O6
• Title of publication: Capecitabine from X-ray powder synchrotron data
• Authors of publication: Rohlicek, Jan; Husak, Michal; Gavenda, Ales; Jegorov, Alexandr; Kratochvil, Bohumil; Fitch, Andy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1325 - o1326
• a: 5.20527 ± 0.00002 Å
• b: 9.52235 ± 0.00004 Å
• c: 34.77985 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1723.91 ± 0.012 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Cell measurement pressure: 101 kPa
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Goodness-of-fit parameter for all reflections: 2.11
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.79483 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No