Information card for entry 7205006

Structure parameters

• Common name: none
• Chemical name: trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 3(N,N-dimethylformamide). 1(dimethyl sulfoxide) clathrate
• Formula: C45 H63 N3 O6 S
• Calculated formula: C45 H36 N3 O6 S
• 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: 9.0858 ± 0.0002 Å
• b: 9.0547 ± 0.0002 Å
• c: 14.7684 ± 0.0004 Å
• α: 107.144 ± 0.001°
• β: 91.527 ± 0.001°
• γ: 70.236 ± 0.002°
• Cell volume: 1089 ± 0.05 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: 0.142
• Residual factor for significantly intense reflections: 0.1166
• Weighted residual factors for significantly intense reflections: 0.3845
• Weighted residual factors for all reflections included in the refinement: 0.4104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.651
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No