Information card for entry 7204643

Structure parameters

• Common name: [(4,4-bpe)(cyanuric acid)]
• Chemical name: (trans-1,2-Bis(4-pyridyl)ethylene)(cyanuric acid)
• Formula: C15 H13 N5 O3
• Calculated formula: C15 H13 N5 O3
• Title of publication: Polymorphism in hydrogen bonded frameworks; cyanuric acid‒bis(4-pyridyl)ethene adducts
• Authors of publication: Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 24
• Pages of publication: 134
• a: 19.174 ± 0.003 Å
• b: 6.7825 ± 0.001 Å
• c: 32.748 ± 0.005 Å
• α: 90°
• β: 91.246 ± 0.003°
• γ: 90°
• Cell volume: 4257.8 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No