Information card for entry 4508415

Structure parameters

• Common name: 1,3,5-Tris(4-carboxyphenyl)mesitylene
• Chemical name: 1,3,5-Tris(4-carboxyphenyl)mesitylene-{potassium-18-crown-6}-2methanol
• Formula: C44 H55 K O14
• Calculated formula: C44 H55 K O14
• 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: 12.8757 ± 0.0014 Å
• b: 14.1279 ± 0.0015 Å
• c: 24.656 ± 0.003 Å
• α: 90°
• β: 101.695 ± 0.002°
• γ: 90°
• Cell volume: 4392 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No