Information card for entry 7059923

Structure parameters

• Common name: Tegafur Syringic acid
• Chemical name: 5-Fluoro-1-(tetrahydro-2-furyl)-uracil 4-hydroxy-3,5-dimethoxybenzoic acid
• Formula: C8.5 H9.5 F0.5 N O4
• Calculated formula: C8.5 H9.5 F0.5 N O4
• Title of publication: A supramolecular adduct of tegafur and syringic acid: the first tegafur-nutraceutical cocrystal with perfected in vitro and in vivo characteristics as well as synergized anticancer activities
• Authors of publication: Yu, Yue-Ming; Yu, Ming-Chao; Wang, Ling-Yang; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 37
• Pages of publication: 15994 - 16005
• a: 9.2818 ± 0.0013 Å
• b: 6.7034 ± 0.001 Å
• c: 14.154 ± 0.002 Å
• α: 90°
• β: 95.26 ± 0.004°
• γ: 90°
• Cell volume: 876.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No