Information card for entry 7228860

Structure parameters

• Common name: JACQ02 Quasiracemate, 2R,4R AND 2R,4S nor methyl analogues0.33 Tetrachloromethane solvate
• Chemical name: 2R,4R-4-p-hydroxyphenyl-2,4-dimethylchroman,2R,4S-4-p-hydroxyphenyl-2,4-dimethylchroman.0.33 Tetrachloromethane solvate
• Formula: C103 H108 Cl4 O12
• Calculated formula: C103 H108 Cl4 O12
• Title of publication: Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound
• Authors of publication: Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 26.3307 ± 0.0003 Å
• b: 26.3307 ± 0.0003 Å
• c: 11.1874 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6717.1 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No