Information card for entry 7041478

Structure parameters

• Formula: C46 H28
• Calculated formula: C46 H28
• SMILES: C12C3(c4ccccc4C1(c1ccccc1C2(c1ccccc31)c1ccc(cc1)C#C)c1ccc(cc1)C#C)c1ccc(cc1)C#C
• Title of publication: Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene.
• Authors of publication: Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 1112 - 1123
• a: 23.7889 ± 0.001 Å
• b: 10.4654 ± 0.0004 Å
• c: 27.3953 ± 0.0016 Å
• α: 90°
• β: 107.901 ± 0.005°
• γ: 90°
• Cell volume: 6490.2 ± 0.6 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No