Information card for entry 7205009

Structure parameters

• Common name: none
• Chemical name: trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 4(dimethyl sulfoxide) clathrate
• Formula: C42 H60 O6 S4
• Calculated formula: C42 H36 O6 S4
• Title of publication: Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration
• Authors of publication: Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 12
• Pages of publication: 1973
• a: 9.0359 ± 0.0003 Å
• b: 9.1353 ± 0.0003 Å
• c: 14.4126 ± 0.0006 Å
• α: 72.981 ± 0.001°
• β: 80.086 ± 0.001°
• γ: 71.631 ± 0.002°
• Cell volume: 1075.44 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1003
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2546
• Weighted residual factors for all reflections included in the refinement: 0.269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No