Information card for entry 7201772

Structure parameters

• Common name: Recognition of Dicarboxylic Acids by 3,3/-Bipyridine Amide Based Receptors and Its Supramolecular Behavior in the Solid State
• Formula: C20 H26 N4 O2
• Calculated formula: C20 H26 N4 O2
• SMILES: C(=O)(C(C)(C)C)Nc1ccc(cn1)c1cnc(cc1)NC(=O)C(C)(C)C
• Title of publication: Recognition of dicarboxylic acids by 3,3′-bipyridine amide based receptors and its supramolecular behavior in solid state
• Authors of publication: Goswami, Shyamaprosad; Jana, Subrata; Fun, Hoong-Kun
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 507
• a: 5.8375 ± 0.0001 Å
• b: 15.957 ± 0.0002 Å
• c: 10.3299 ± 0.00001 Å
• α: 90°
• β: 95.814 ± 0.001°
• γ: 90°
• Cell volume: 957.27 ± 0.02 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No