Information card for entry 7210218

Structure parameters

• Chemical name: 2,4-Diamino-6-phenyl-1,3,5-triazine+terephthalic acid
• Formula: C26 H24 N10 O4
• Calculated formula: C26 H24 N10 O4
• SMILES: c1c(ccc(c1)C(=O)O)C(=O)O.c1(N)nc(N)nc(c2ccccc2)n1.c1(N)nc(c2ccccc2)nc(N)n1
• Title of publication: Influence of molecular shape on the design and synthesis of supramolecular assemblies
• Authors of publication: Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 4811
• a: 29.943 ± 0.001 Å
• b: 7.007 ± 0.002 Å
• c: 12.152 ± 0.004 Å
• α: 90°
• β: 107.78 ± 0.01°
• γ: 90°
• Cell volume: 2427.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1085
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2998
• Weighted residual factors for all reflections included in the refinement: 0.3098
• Goodness-of-fit parameter for all reflections included in the refinement: 2.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No