Information card for entry 1518876

Structure parameters

• Formula: C38 H64 O26 Zn8
• Calculated formula: C38 H64 O26 Zn8
• SMILES: [Zn]123[O]=C(O[Zn]45[O]=C(O[Zn]67[O]14[Zn]1([O]4CCC[C@H]4[O]3[Zn]34[O]=C(O[Zn]89[O]=C(O[Zn]%10([O]=C(O1)CC)[O]49[Zn]([O]=C(O3)CC)(OC(=[O]2)CC)([O]=C(O8)CC)[O]1[C@@H]([O]7%10)CCC1)CC)CC)([O]=C(O6)CC)OC(=[O]5)CC)CC)CC
• Title of publication: Development of zinc alkyl/air systems as radical initiators for organic reactions
• Authors of publication: Kubisiak, Marcin; Zelga, Karolina; Bury, Wojciech; Justyniak, Iwona; Budny-Godlewski, Krzysztof; Ochal, Zbigniew; Lewiński, Janusz
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 3102
• a: 9.5731 ± 0.0004 Å
• b: 10.8542 ± 0.0006 Å
• c: 13.0771 ± 0.0007 Å
• α: 77.371 ± 0.002°
• β: 83.044 ± 0.003°
• γ: 80.914 ± 0.003°
• Cell volume: 1304.01 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No