Information card for entry 7123609

Structure parameters

• Chemical name: FuA_9
• Formula: C15 H26 F N3 O4
• Calculated formula: C15 H26 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: 4.6735 ± 0.0007 Å
• b: 10.5865 ± 0.0015 Å
• c: 17.88 ± 0.003 Å
• α: 100.883 ± 0.002°
• β: 96.135 ± 0.002°
• γ: 91.952 ± 0.002°
• Cell volume: 862.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1002
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No