Information card for entry 7205008

Structure parameters

• Common name: none
• Chemical name: trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 1(N,N-dimethylformamide). 3(dimethyl sulfoxide) clathrate.
• Formula: C43 H61 N O6 S3
• Calculated formula: C43 H48 N O5.5 S3.26
• 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: 9.046 ± 0.0002 Å
• b: 9.1291 ± 0.0002 Å
• c: 14.409 ± 0.001 Å
• α: 72.559 ± 0.001°
• β: 80.132 ± 0.001°
• γ: 71.486 ± 0.002°
• Cell volume: 1072.64 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2087
• Weighted residual factors for all reflections included in the refinement: 0.2228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No