Information card for entry 7128031

Structure parameters

• Common name: (resv).(bpe).(5-fu)
• Chemical name: 3,5,4'-trihydroxy-trans-stilbene, 1,2-bis(4-pyridyl)ethylene, 5-fluoro-1H,3H-pyrimidine-2,4-dione
• Formula: C30 H25 F N4 O5
• Calculated formula: C30 H25 F N4 O5
• Title of publication: Clues from cocrystals: a ternary solid, polymorphism, and rare supramolecular isomerism involving resveratrol and 5-fluorouracil.
• Authors of publication: Ortiz-de León, Celymar; MacGillivray, Leonard R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 31
• Pages of publication: 3809 - 3811
• a: 9.4819 ± 0.0009 Å
• b: 10.6517 ± 0.0011 Å
• c: 13.506 ± 0.0014 Å
• α: 76.407 ± 0.005°
• β: 85.696 ± 0.005°
• γ: 88.382 ± 0.005°
• Cell volume: 1322.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.1605
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No