Information card for entry 1570482

Structure parameters

• Formula: C23 H25 Al F6 N2 O6 S2
• Calculated formula: C23 H25 Al F6 N2 O6 S2
• SMILES: S(=O)(=O)(O[Al]1(OS(=O)(=O)C(F)(F)F)N(C(=CC(=[N]1c1c(cccc1C)C)C)C)c1c(cccc1C)C)C(F)(F)F
• Title of publication: Lewis acid catalysed polymerisation of cyclopentenone.
• Authors of publication: Dissanayake, Deepamali; Draper, Alysia; Liu, Zhizhou; Jaunnoo, Neelofur; Haven, Joris J.; Forsyth, Craig; McKay, Alasdair I.; Junkers, Tanja; Vidović, Dragoslav
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 639 - 643
• a: 9.406 ± 0.0002 Å
• b: 11.1167 ± 0.0002 Å
• c: 15.5637 ± 0.0003 Å
• α: 75.81 ± 0.002°
• β: 72.977 ± 0.002°
• γ: 66.135 ± 0.002°
• Cell volume: 1408.04 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No