Information card for entry 7041473

Structure parameters

• Formula: C25 H22
• Calculated formula: C25 H22
• SMILES: C12C3(c4ccccc4C1(c1ccccc1C2(c1ccccc31)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: 8.75501 ± 0.00019 Å
• b: 12.8417 ± 0.0002 Å
• c: 16.3598 ± 0.0003 Å
• α: 99.9308 ± 0.0015°
• β: 94.5032 ± 0.0015°
• γ: 97.3754 ± 0.0016°
• Cell volume: 1787.21 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0412
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No