Information card for entry 4500422

Structure parameters

• Common name: benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline), methanol
• Chemical name: benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline), methanol
• Formula: C27 H32 N2 O7
• Calculated formula: C27 H32 N2 O7
• SMILES: Cc1c(c(C)cc(c1)Cc1cc(c(N)c(C)c1)C)N.OC.O=C(c1cc(cc(c1)C(=O)O)C(=O)O)O
• Title of publication: Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes
• Authors of publication: Bhattacharya, Suman; Saha, Binoy K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2194
• a: 4.8205 ± 0.0006 Å
• b: 16.355 ± 0.002 Å
• c: 17.304 ± 0.003 Å
• α: 107.516 ± 0.013°
• β: 92.098 ± 0.011°
• γ: 94.317 ± 0.01°
• Cell volume: 1294.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1529
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No