Information card for entry 4068402

Structure parameters

• Formula: C26 H46 N2 O Zn
• Calculated formula: C26 H46 N2 O Zn
• SMILES: C1C[C@@H]2[C@@H](CC1)[N](C)(C)[Zn@]1(CC)[N]2(Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C
• Title of publication: Unusually Stable Chiral Ethyl Zinc Complexes: Reactivity and Polymerization of Lactide
• Authors of publication: Labourdette, Guillaume; Lee, Daniel J.; Patrick, Brian O.; Ezhova, Maria B.; Mehrkhodavandi, Parisa
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1309
• a: 11.494 ± 0.003 Å
• b: 14.886 ± 0.003 Å
• c: 16.076 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2750.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0993
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1077
• 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