Information card for entry 1557329

Structure parameters

• Common name: 1:1 rac-LA:L7AlOBn
• Formula: C37 H40 Al Cl2 N4 O5
• Calculated formula: C37 H39.076 Al Cl2 N4 O5
• Title of publication: Mechanism of Initiation Stereocontrol in Polymerization of rac-Lactide by Aluminum Complexes Supported by Indolide‒Imine Ligands
• Authors of publication: Luke, Anna M.; Peterson, Appie; Chiniforoush, Sina; Mandal, Mukunda; Popowski, Yanay; Sajjad, Hussnain; Bouchey, Caitlin J.; Shopov, Dimitar Y.; Graziano, Brendan J.; Yao, Letitia J.; Cramer, Christopher J.; Reineke, Theresa M.; Tolman, William B.
• Journal of publication: Macromolecules
• Year of publication: 2020
• a: 10.6552 ± 0.001 Å
• b: 12.4511 ± 0.0012 Å
• c: 14.8269 ± 0.0016 Å
• α: 100.087 ± 0.004°
• β: 96.082 ± 0.004°
• γ: 90.524 ± 0.004°
• Cell volume: 1925 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No