Information card for entry 7231793

Structure parameters

• Formula: C6 H8 F N2 O5
• Calculated formula: C6 H8 F N2 O5
• Title of publication: Co-crystallization and polymorphic behaviour of 5-fluorouracil
• Authors of publication: Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 13
• Pages of publication: 2130
• a: 5.443 ± 0.009 Å
• b: 5.845 ± 0.009 Å
• c: 14.47 ± 0.02 Å
• α: 92.228 ± 0.018°
• β: 94.392 ± 0.009°
• γ: 110.98 ± 0.03°
• Cell volume: 427.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No