Information card for entry 4068403

Structure parameters

• Formula: C18 H30 N2 O Zn
• Calculated formula: C18 H30 N2 O Zn
• SMILES: C(C)[Zn@@]12[N]([C@@H]3[C@H](CCCC3)[N]1(C)C)(C)Cc1ccccc1O2.C(C)[Zn@]12[N]([C@H]3[C@@H](CCCC3)[N]1(C)C)(C)Cc1ccccc1O2
• 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: 9.1548 ± 0.0007 Å
• b: 12.284 ± 0.0009 Å
• c: 15.7667 ± 0.0012 Å
• α: 87.63 ± 0.004°
• β: 89.522 ± 0.004°
• γ: 87.107 ± 0.004°
• Cell volume: 1769.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No