Information card for entry 7041483

Structure parameters

• Formula: C25 H16 Br6
• Calculated formula: C25 H16 Br6
• SMILES: Brc1cc2C3(C4C(c2cc1Br)(c1cc(Br)c(Br)cc1C4(c1cc(Br)c(Br)cc31)C)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: 13.4708 ± 0.0004 Å
• b: 9.3343 ± 0.0002 Å
• c: 18.9329 ± 0.0005 Å
• α: 90°
• β: 92.806 ± 0.003°
• γ: 90°
• Cell volume: 2377.78 ± 0.11 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 3
• 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: 0.0415
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No