Information card for entry 7014887

Structure parameters

• Formula: C38 H34 N4 O4 Zn
• Calculated formula: C38 H34 N4 O4 Zn
• SMILES: [Zn]12(N3[C@H](COC3=CC3=[N]1[C@H](CO3)c1ccccc1)c1ccccc1)N1[C@H](COC1=CC1OC[C@@H]([N]2=1)c1ccccc1)c1ccccc1
• 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: 10.3033 ± 0.0007 Å
• b: 16.6104 ± 0.0011 Å
• c: 75.385 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12901.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No