Information card for entry 7123607

Structure parameters

• Chemical name: FuA_14
• Formula: C20 H36 F N3 O4
• Calculated formula: C20 H36 F N3 O4
• Title of publication: An Easy Access to Topical Gels of an Anti-cancer Prodrug (5-Flurouracil Acetic Acid) for Self-drug-delivery Applications
• Authors of publication: Dastidar, Parthasarathi; Chakraborty, Poulami
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 4.7844 ± 0.0002 Å
• b: 10.4899 ± 0.0003 Å
• c: 21.3123 ± 0.0007 Å
• α: 82.522 ± 0.002°
• β: 87.079 ± 0.002°
• γ: 88.45 ± 0.002°
• Cell volume: 1058.92 ± 0.06 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115.14 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No