Information card for entry 1558610

Structure parameters

• Formula: C91 H111 La N2 O4 P2 Si2
• Calculated formula: C77 H95 La N2 O4 P2 Si2
• Title of publication: The Role of Neutral Donor Ligands in the Isoselective Ring-Opening Polymerization of rac-β-Butyrolactone
• Authors of publication: Dong, Xiang; Robinson, Jerome
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 15.355 ± 0.002 Å
• b: 15.378 ± 0.002 Å
• c: 35.734 ± 0.005 Å
• α: 90°
• β: 94.563 ± 0.005°
• γ: 90°
• Cell volume: 8411.1 ± 1.9 ų
• Cell temperature: 173.21 K
• Ambient diffraction temperature: 173.21 K
• Number of distinct elements: 7
• 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: 0.0659
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No