Information card for entry 7710923

Structure parameters

• Formula: C36 H20
• Calculated formula: C36 H20
• SMILES: c1(c2[C@H]3c4cccc(c4[C@@H](c2ccc1)[C@H]1c2c([C@@H]3c3c(cccc13)C#C)cccc2C#C)C#C)C#C
• Title of publication: Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives
• Authors of publication: Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.97671 ± 0.00017 Å
• b: 15.5959 ± 0.0003 Å
• c: 10.1573 ± 0.0002 Å
• α: 90°
• β: 105.596 ± 0.002°
• γ: 90°
• Cell volume: 1217.08 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No