Information card for entry 7014885

Structure parameters

• Formula: C21 H22 N2 O2 Zn
• Calculated formula: C21 H22 N2 O2 Zn
• SMILES: [Zn]1(N2C(=CC3=[N]1[C@H](CO3)c1ccccc1)OC[C@@H]2c1ccccc1)CC
• Title of publication: Synthesis and characterisation of trigonal C(2)-chiral di- and tetra-substituted bis(oxazoline) alkyl zinc complexes and their reactivity towards protic reagents.
• Authors of publication: Le Roux, Erwan; Merle, Nicolas; Törnroos, Karl W
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 1768 - 1777
• a: 5.4113 ± 0.0007 Å
• b: 21.983 ± 0.003 Å
• c: 31.33 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3726.9 ± 0.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No