Information card for entry 7111060

Structure parameters

• Formula: C30 H55 N3 O Si2 Zn
• Calculated formula: C30 H55 N3 O Si2 Zn
• SMILES: [Zn]1(N(C(=CC2=[N]1[C@H](CO2)C(C)(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Enantiomerically-enriched organic reagents via polymer synthesis: enantioselective copolymerization of cycloalkene oxides and CO2 using homogeneous, zinc-based catalysts
• Authors of publication: Cheng, Ming; Darling, Nicholas A.; Lobkovsky, Emil B.; Coates, Geoffrey W.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 2007
• a: 11.4881 ± 0.0001 Å
• b: 13.9886 ± 0.0001 Å
• c: 22.0242 ± 0.0003 Å
• α: 90°
• β: 104.524 ± 0.001°
• γ: 90°
• Cell volume: 3426.23 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.1031
• Goodness-of-fit parameter for all reflections: 0.708
• Goodness-of-fit parameter for significantly intense reflections: 0.718
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No