Information card for entry 4347603

Structure parameters

• Formula: C41 H52 N2 O Zn
• Calculated formula: C41 H52 N2 O Zn
• SMILES: [Zn]12([N](Cc3c(O2)c(cc(c3)C(C)(C)c2ccccc2)C(C)(C)c2ccccc2)(C[C@H]2[N]1(CCC2)CC)Cc1ccccc1)CC
• 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: 8.3865 ± 0.0009 Å
• b: 17.5334 ± 0.0019 Å
• c: 23.826 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3503.5 ± 0.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No