Information card for entry 1508272

Structure parameters

• Common name: 12026
• Formula: C66 H74 Al2 D16 N8 O14
• Calculated formula: C66 H74 Al2 D16 N8 O14
• Title of publication: Roles of Monomer Binding and Alkoxide Nucleophilicity in Aluminum-Catalyzed Polymerization of ε-Caprolactone
• Authors of publication: Ding, Keying; Miranda, Maria O.; Moscato-Goodpaster, Beth; Ajellal, Noureddine; Breyfogle, Laurie E.; Hermes, Eric D.; Schaller, Chris P.; Roe, Stephanie E.; Cramer, Christopher J.; Hillmyer, Marc A.; Tolman, William B.
• Journal of publication: Macromolecules
• Year of publication: 2012
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5387
• a: 24.8952 ± 0.0013 Å
• b: 14.1208 ± 0.0007 Å
• c: 23.1567 ± 0.0018 Å
• α: 90°
• β: 121.561 ± 0.001°
• γ: 90°
• Cell volume: 6936.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No