Information card for entry 4110750

Structure parameters

• Formula: C31 H47 N3 Sn
• Calculated formula: C31 H47 N3 Sn
• Title of publication: Synthetic, Structural, Mechanistic, and Computational Studies on Single-Site β-Diketiminate Tin(II) Initiators for the Polymerization of rac-Lactide
• Authors of publication: Andrew P. Dove; Vernon C. Gibson; Edward L. Marshall; Henry S. Rzepa; Andrew J. P. White; David J. Williams
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9834 - 9843
• a: 8.9672 ± 0.0013 Å
• b: 22.516 ± 0.002 Å
• c: 15.026 ± 0.002 Å
• α: 90°
• β: 99.725 ± 0.015°
• γ: 90°
• Cell volume: 2990.2 ± 0.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for all reflections: 1.073
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No