Information card for entry 4023863

Structure parameters

• Formula: C46 H32 Cl6 S6
• Calculated formula: C46 H32 Cl6 S6
• Title of publication: C~3v~Symmetrical Tribenzotriquinacenes as Hosts for C~60~ and C~70~ in Solution and in the Solid State
• Authors of publication: Paris E. Georghiou; Louise N. Dawe; Huu-Anh Tran; Jörg Struübe; Beate Neumann; Hans-Georg Stammler; Dietmar Kuck
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 9040 - 9047
• a: 12.1723 ± 0.0002 Å
• b: 13.0295 ± 0.0003 Å
• c: 15.6452 ± 0.0003 Å
• α: 75.3784 ± 0.0009°
• β: 67.5715 ± 0.0012°
• γ: 72.2295 ± 0.0011°
• Cell volume: 2157.96 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No