Information card for entry 7112928

Structure parameters

• Common name: 4-p-Hydroxyphenyl-2,2,4-trimethylchroman carbon tetrachloride clathrate
• Formula: C109 H120 Cl4 O12
• Calculated formula: C109 H120 Cl4 O12
• Title of publication: Templated polar order of a guest in a quasiracemic organic host.
• Authors of publication: Jacobs, Tia; Bredenkamp, Martin W.; Neethling, Pieter H.; Rohwer, Erich G.; Barbour, Leonard J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 44
• Pages of publication: 8341 - 8343
• a: 26.8078 ± 0.0012 Å
• b: 26.8078 ± 0.0012 Å
• c: 10.8706 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6765.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No