Information card for entry 7057070

Structure parameters

• Chemical name: Flucytosine/3,5-dihydroxybenzoic acid
• Formula: C22 H20 F2 N6 O15
• Calculated formula: C22 H20 F2 N6 O15
• Title of publication: Synthesis of cocrystals/salts of flucytosine: Structure and stability
• Authors of publication: Nechipadappu, Sunil Kumar; Ramachandran, Jeeshma; Shivalingegowda, Naveen; Lokanath, Neratur Krishnappagowda; Trivedi, Darshak R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 5433
• a: 7.298 ± 0.003 Å
• b: 13.507 ± 0.004 Å
• c: 15.536 ± 0.005 Å
• α: 109.39 ± 0.008°
• β: 92.328 ± 0.007°
• γ: 103.472 ± 0.007°
• Cell volume: 1393.2 ± 0.8 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: 0.1072
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.3289
• Weighted residual factors for all reflections included in the refinement: 0.3544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No