Information card for entry 4110751

Structure parameters

• Formula: C20 H24 N2 O Sn
• Calculated formula: C20 H24 N2 O Sn
• SMILES: [Sn]1(N(C(=CC(=[N]1c1ccccc1)C)C)c1ccccc1)OC(C)C
• 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: 7.2919 ± 0.0013 Å
• b: 10.6268 ± 0.0009 Å
• c: 25.237 ± 0.003 Å
• α: 90°
• β: 96.196 ± 0.008°
• γ: 90°
• Cell volume: 1944.2 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.0811
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No