Information card for entry 7205010

Structure parameters

• Common name: none
• Chemical name: trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 4(acetone) clathrate
• Formula: C46 H60 O6
• Calculated formula: C46 H42 O6
• 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: 8.9057 ± 0.0002 Å
• b: 26.9049 ± 0.0006 Å
• c: 9.1615 ± 0.0002 Å
• α: 90°
• β: 108.59 ± 0.001°
• γ: 90°
• Cell volume: 2080.62 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No