Information card for entry 4347602

Structure parameters

• Formula: C45 H65 N3 O Si2 Zn
• Calculated formula: C45 H65 N3 O Si2 Zn
• SMILES: [Zn]12([N](Cc3c(O2)c(cc(c3)C)C(c2ccccc2)(c2ccccc2)c2ccccc2)(C[C@H]2[N]1(CCC2)CCCC)C(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.
• Authors of publication: Wang, Haobing; Yang, Yang; Ma, Haiyan
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7356 - 7372
• a: 15.123 ± 0.002 Å
• b: 10.8882 ± 0.0014 Å
• c: 16.463 ± 0.002 Å
• α: 90°
• β: 111.496 ± 0.003°
• γ: 90°
• Cell volume: 2522.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No