Information card for entry 7114864

Structure parameters

• Common name: none
• Chemical name: trans-9,10-dihydroxy-9,10-di-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 O6 S3
• 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: 9.046 ± 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: 0.1082
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2981
• Weighted residual factors for all reflections included in the refinement: 0.312
• Goodness-of-fit parameter for all reflections included in the refinement: 2.5
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No