Information card for entry 4500082

Structure parameters

• Common name: Tetrakis(4-hydroxyphenyl)methane - ethyl acetate clathrate
• Formula: C29 H28 O6
• Calculated formula: C29 H28 O6
• SMILES: C(c1ccc(O)cc1)(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.O=C(OCC)C
• Title of publication: Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane
• Authors of publication: Jean-Hugues Fournier; Thierry Maris; Michel Simard; James D. Wuest
• Journal of publication: Cryst. Growth & Design
• Year of publication: 2003
• Journal volume: 2
• Pages of publication: 535 - 540
• a: 10.243 ± 0.004 Å
• b: 15.673 ± 0.006 Å
• c: 15.412 ± 0.008 Å
• α: 90°
• β: 100.86 ± 0.04°
• γ: 90°
• Cell volume: 2429.9 ± 1.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• 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: 0.0715
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No