Information card for entry 4089449

Structure parameters

• Formula: C18 H23 N3 O Zn
• Calculated formula: C18 H23 N3 O Zn
• SMILES: [Zn]12(OC(=CC(=[N]1c1ccccc1n1[n]2c(cc1C)C)C)C)CC
• Title of publication: Rapid and Controlled Polymerization of rac-Lactide Using N,N,O-Chelate Zinc Enolate Catalysts
• Authors of publication: Yu, Xiao-Feng; Zhang, Cheng; Wang, Zhong-Xia
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3262
• a: 7.8795 ± 0.0011 Å
• b: 15.154 ± 0.002 Å
• c: 15.398 ± 0.002 Å
• α: 90°
• β: 99.754 ± 0.002°
• γ: 90°
• Cell volume: 1812 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No