Information card for entry 2313010

Structure parameters

• Common name: Clofarabine (form I)
• Chemical name: 2-Chloro-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-9<i>H</i>-purin-6-amine
• Formula: C10 H11 Cl F N5 O3
• Calculated formula: C10 H11 Cl F N5 O3
• Title of publication: Crystal structure of clofarabine (form I), C₁₀H₁₁ClFN₅O₃, from synchrotron power diffraction data and density functional theory calculations.
• Authors of publication: Salazar, Jacob K.; Kaduk, James A.; Dosen, Anja; Blanton, Thomas N.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 7
• Pages of publication: 883 - 887
• a: 5.067481 ± 0.000012 Å
• b: 10.79402 ± 0.00002 Å
• c: 22.34124 ± 0.00005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1222.03 ± 0.005 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Weighted residual factors for significantly intense reflections: 0.08558
• Goodness-of-fit parameter for all reflections: 2.107
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.46873 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No