Information card for entry 7114860

Structure parameters

• Common name: none
• Chemical name: trans-9,10-dihydroxy-9,10-di-p-tert-butylphenyl-9,10-dihydroanthracene. 2(N,N-dimethylformamide). 2(dimethyl sulfoxide) clathrate
• Formula: C44 H62 N2 O6 S2
• Calculated formula: C44 H54 N2 O6 S2
• 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: 9.1425 ± 0.0003 Å
• b: 9.173 ± 0.0003 Å
• c: 14.273 ± 0.001 Å
• α: 71.356 ± 0.001°
• β: 81.229 ± 0.001°
• γ: 69.938 ± 0.001°
• Cell volume: 1064.13 ± 0.09 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: 0.1251
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2828
• Weighted residual factors for all reflections included in the refinement: 0.3002
• Goodness-of-fit parameter for all reflections included in the refinement: 2.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No