Information card for entry 4508417

Structure parameters

• Common name: 1,3,5-Tris(4-carboxyphenyl)mesitylene
• Chemical name: 1,3,5-Tris(4-carboxyphenyl)mesitylene-{ammonium-18-crown-6}-2dimethoxyethane-2water
• Formula: C48 H75 N O19
• Calculated formula: C48 H61 N O18.98
• Title of publication: Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism
• Authors of publication: Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 4721
• a: 12.413 ± 0.004 Å
• b: 14.033 ± 0.005 Å
• c: 17.701 ± 0.006 Å
• α: 107.579 ± 0.006°
• β: 109.44 ± 0.006°
• γ: 96.641 ± 0.007°
• Cell volume: 2690.5 ± 1.6 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: 0.1771
• Residual factor for significantly intense reflections: 0.1317
• Weighted residual factors for significantly intense reflections: 0.3449
• Weighted residual factors for all reflections included in the refinement: 0.3711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No