Information card for entry 1570484

Structure parameters

• Formula: C41 H42 Al2 Cl4 N4
• Calculated formula: C41 H42 Al2 Cl4 N4
• 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: 6.2994 ± 0.0001 Å
• b: 22.3513 ± 0.0004 Å
• c: 14.5043 ± 0.0002 Å
• α: 90°
• β: 90.524 ± 0.001°
• γ: 90°
• Cell volume: 2042.12 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No