Information card for entry 7710925

Structure parameters

• Formula: C127 H211 Al4 N4 Si16
• Calculated formula: C112 H196 Al4 N4 Si16
• SMILES: [Si](C([Si](C)(C)C)[Al]([n]1ccccc1)(/C=C/c1c2[C@@H]3c4cccc(c4[C@H](c2ccc1)[C@@H]1c2c([C@H]3c3c(cccc13)/C=C/[Al]([n]1ccccc1)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)cccc2/C=C/[Al]([n]1ccccc1)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)/C=C/[Al]([n]1ccccc1)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(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: 30.0412 ± 0.0003 Å
• b: 20.17214 ± 0.00013 Å
• c: 25.6654 ± 0.0003 Å
• α: 90°
• β: 108.098 ± 0.0012°
• γ: 90°
• Cell volume: 14783.6 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.1 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1653
• 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