Information card for entry 4500419

Structure parameters

• Chemical name: benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline)
• Formula: C35 H34 N2 O12
• Calculated formula: C35 H34 N2 O12
• 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: 8.3457 ± 0.0004 Å
• b: 13.5238 ± 0.0006 Å
• c: 14.446 ± 0.0007 Å
• α: 101.971 ± 0.004°
• β: 90.161 ± 0.004°
• γ: 93.658 ± 0.004°
• Cell volume: 1591.53 ± 0.13 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: 0.1085
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No