Information card for entry 4348847

Structure parameters

• Formula: C25 H42 N2 O Zn
• Calculated formula: C25 H42 N2 O Zn
• SMILES: [C@H]12[C@@H](CCCC1)[N](C)(C)[Zn]1(CC)[N]2=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1.[C@@H]12[C@H](CCCC1)[N](C)(C)[Zn]1(CC)[N]2=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1
• Title of publication: The Role of Nitrogen Donors in Zinc Catalysts for Lactide Ring-Opening Polymerization.
• Authors of publication: Ebrahimi, Tannaz; Mamleeva, Emiliya; Yu, Insun; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 18
• Pages of publication: 9445 - 9453
• a: 10.8221 ± 0.0013 Å
• b: 8.2063 ± 0.001 Å
• c: 27.479 ± 0.003 Å
• α: 90°
• β: 91.9 ± 0.002°
• γ: 90°
• Cell volume: 2439.1 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No