Information card for entry 7123610

Structure parameters

• Chemical name: FuA_15
• Formula: C21 H38 F N3 O4
• Calculated formula: C21 H38 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: 4.7775 ± 0.0004 Å
• b: 10.4402 ± 0.0009 Å
• c: 45.66 ± 0.003 Å
• α: 88.427 ± 0.003°
• β: 88.793 ± 0.002°
• γ: 88.556 ± 0.003°
• Cell volume: 2275.4 ± 0.3 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 105.94 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: 0.1374
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No