Information card for entry 7206237

Structure parameters

• Formula: C22 H27 N13 O6
• Calculated formula: C22 H27 N13 O6
• SMILES: Nc1[nH+]c(N)nc(N)n1.Oc1c(cccc1)C(=O)[O-].N#CC
• Title of publication: Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids
• Authors of publication: SeethaLekshmi, Sunil; Guru Row, T. N.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 4886
• a: 16.691 ± 0.008 Å
• b: 8.577 ± 0.004 Å
• c: 20.692 ± 0.008 Å
• α: 90°
• β: 117.83 ± 0.03°
• γ: 90°
• Cell volume: 2620 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.166
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.689
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No