Information card for entry 4079352

Structure parameters

• Common name: 11070a
• Formula: C27 H43 N3 O Si2 Zn
• Calculated formula: C27 H43 N3 O Si2 Zn
• SMILES: [Zn]1([N]2=C(c3c(N1c1c(cccc1C)C)cccc3)OC[C@H]2CC(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Chiral Amido-Oxazolinate Zinc Complexes for Asymmetric Alternating Copolymerization of CO2and Cyclohexene Oxide
• Authors of publication: Abbina, Srinivas; Du, Guodong
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7394
• a: 8.2758 ± 0.0004 Å
• b: 11.7384 ± 0.0006 Å
• c: 30.5893 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2971.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No