Information card for entry 7107729

Structure parameters

• Formula: C28 H59 N4 Na O2 Zn
• Calculated formula: C28 H59 N4 Na O2 Zn
• SMILES: [Zn]1([N]2(C(C)(CCCC2(C)C)C)[Na]3([O]=C(OC(C)(C)C)N4C1CCC4)[N](CC[N]3(C)C)(C)C)C(C)(C)C
• Title of publication: Ambient temperature zincation of N-Boc pyrrolidine and its solvent dependency
• Authors of publication: Jennifer A. Garden; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5265
• a: 16.8528 ± 0.0006 Å
• b: 19.2437 ± 0.0005 Å
• c: 20.3447 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6598 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No