Information card for entry 4089450

Structure parameters

• Formula: C33 H32 N3 O P Zn
• Calculated formula: C33 H32 N3 O P Zn
• SMILES: [Zn]12(OC(=CP(=[N]1c1ccccc1n1[n]2c(cc1C)C)(c1ccccc1)c1ccccc1)c1ccccc1)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: 9.5464 ± 0.0011 Å
• b: 11.1574 ± 0.0013 Å
• c: 15.7317 ± 0.0018 Å
• α: 91.723 ± 0.002°
• β: 104.828 ± 0.002°
• γ: 113.929 ± 0.002°
• Cell volume: 1463.5 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0454
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No