Information card for entry 4505253

Structure parameters

• Chemical name: cis,cis-1,3,5-cyclohexanetricarboxylic acid - 4,4'-bipyridine - 1,2-bis(4-pyridyl)ethane
• Formula: C25 H26 N3 O6
• Calculated formula: C25 H26 N3 O6
• Title of publication: Three-Component Carboxylic Acid−Bipyridine Lattice Inclusion Host. Supramolecular Synthesis of Ternary Cocrystals
• Authors of publication: Bhogala, Balakrishna R.; Basavoju, Srinivas; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1683
• a: 33.167 ± 0.007 Å
• b: 9.954 ± 0.002 Å
• c: 14.988 ± 0.003 Å
• α: 90°
• β: 110.91 ± 0.03°
• γ: 90°
• Cell volume: 4622.3 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1025
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No