Information card for entry 7715245

Structure parameters

• Formula: C31 H34
• Calculated formula: C31 H34
• SMILES: C12C3(c4ccccc4C1(c1ccccc1C2(c1ccccc31)CCC)CCC)CCC
• Title of publication: Hexadentate poly-Lewis acids based on the bowl-shaped tribenzotriquinacene.
• Authors of publication: Franke, Maurice; Klingsiek, Maximilian J.; Buth, Julian; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 7751 - 7762
• a: 9.014 ± 0.0004 Å
• b: 9.3643 ± 0.0003 Å
• c: 14.785 ± 0.0005 Å
• α: 99.294 ± 0.003°
• β: 104.18 ± 0.003°
• γ: 93.662 ± 0.003°
• Cell volume: 1187.09 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No