Information card for entry 7114863

Structure parameters

• Common name: none
• Chemical name: trans-9,10-dihydroxy-9,10-di-p-tert-butlyphenyl-9,10-dihydroanthracene. 4(dimethyl sulfoxide) clathrate
• Formula: C42 H60 O6 S4
• Calculated formula: C42 H48 O6 S4
• Title of publication: Tunable clathrates
• Authors of publication: Caira, Mino R.; Roex, Tanya le; Nassimbeni, Luigi R.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 2128
• a: 9.033 ± 0.0018 Å
• b: 9.1302 ± 0.0018 Å
• c: 14.404 ± 0.003 Å
• α: 72.87 ± 0.03°
• β: 80.07 ± 0.03°
• γ: 71.66 ± 0.03°
• Cell volume: 1073.4 ± 0.4 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: 0.1863
• Residual factor for significantly intense reflections: 0.1283
• Weighted residual factors for significantly intense reflections: 0.3476
• Weighted residual factors for all reflections included in the refinement: 0.3691
• Goodness-of-fit parameter for all reflections included in the refinement: 2.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No