Information card for entry 7201771

Structure parameters

• Formula: C30 H36 N4 O6
• Calculated formula: C30 H36 N4 O6
• SMILES: c1c(ccc(n1)NC(=O)C(C)(C)C)c1cnc(cc1)NC(=O)C(C)(C)C.OC(=O)Cc1ccc(CC(=O)O)cc1
• 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: 6.4295 ± 0.0003 Å
• b: 9.885 ± 0.0004 Å
• c: 21.8431 ± 0.0009 Å
• α: 90°
• β: 93.739 ± 0.003°
• γ: 90°
• Cell volume: 1385.3 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0835
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No