Information card for entry 7115658

Structure parameters

• Formula: C35 H42 N5 O P Zn
• Calculated formula: C35 H42 N5 O P Zn
• SMILES: C12n3c(C)cc(C)[n]3[Zn](CC)([n]3c(cc(C)n13)C)N(c1ccccc1)P=2(c1ccccc1)c1ccccc1.C1CCCO1
• Title of publication: Isoselective ring-opening polymerization of rac-lactide initiated by achiral heteroscorpionate zwitterionic zinc complexes
• Authors of publication: Zehuai Mou; Bo Liu; Meiyan Wang; Hongyan Xie; Ping Li; Lei Li; Shihui Li; Dongmei Cui
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11411
• a: 10.6521 ± 0.0006 Å
• b: 14.2354 ± 0.0008 Å
• c: 21.9063 ± 0.0012 Å
• α: 90°
• β: 95.875 ± 0.001°
• γ: 90°
• Cell volume: 3304.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0474
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No