Information card for entry 4500420

Structure parameters

• Chemical name: benzene-1,3,5-tricarboxylic acid, 2,6-dimethylaniline, hydrate
• Formula: C17 H19 N O7
• Calculated formula: C17 H19 N O7
• 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: 8.3651 ± 0.0004 Å
• b: 13.7509 ± 0.0005 Å
• c: 14.4816 ± 0.0004 Å
• α: 90.155 ± 0.003°
• β: 102.153 ± 0.003°
• γ: 95.522 ± 0.003°
• Cell volume: 1620.44 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No