Information card for entry 7206233

Structure parameters

• Formula: C30 H36 N18 O23
• Calculated formula: C30 H36 N18 O23
• SMILES: Nc1[nH+]c(N)nc(N)n1.Oc1c(cccc1O)C(=O)[O-].O.O.O.O
• 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: 10.811 ± 0.001 Å
• b: 12.298 ± 0.001 Å
• c: 19.58 ± 0.001 Å
• α: 82.23 ± 0.004°
• β: 79.12 ± 0.005°
• γ: 64.53 ± 0.005°
• Cell volume: 2303.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No