Information card for entry 7127743

Structure parameters

• Common name: YP salphLAl(oCHCA-OiPr)
• Formula: C137 H179 Al3 N6 O15
• Calculated formula: C137 H179 Al3 N6 O15
• Title of publication: Mechanistic insight into initiation and regioselectivity in the copolymerization of epoxides and anhydrides by Al complexes.
• Authors of publication: Popowski, Yanay; Moreno, Juan J.; Nichols, Asa W.; Hooe, Shelby L.; Bouchey, Caitlin J.; Rath, Nigam P.; Machan, Charles W.; Tolman, William B.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 90
• Pages of publication: 14027 - 14030
• a: 22.7869 ± 0.0007 Å
• b: 30.5983 ± 0.0009 Å
• c: 21.2437 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14812 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2174
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No