Information card for entry 7123605

Structure parameters

• Chemical name: FuA_11
• Formula: C17 H30 F N3 O4
• Calculated formula: C17 H30 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: 4.6593 ± 0.0002 Å
• b: 10.5631 ± 0.0003 Å
• c: 19.8391 ± 0.0007 Å
• α: 97.467 ± 0.002°
• β: 92.052 ± 0.003°
• γ: 91.741 ± 0.002°
• Cell volume: 966.91 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.09 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: 0.0834
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No