Information card for entry 4081692

Structure parameters

• Formula: C34 H56 N4 O4 Zn2
• Calculated formula: C34 H56 N4 O4 Zn2
• SMILES: C(C)(C)(C)O[O]1[Zn]2(N(C3=CC=CC=CC3=[N]2C(C)C)C(C)C)[O](OC(C)(C)C)[Zn]21N(C1=CC=CC=CC1=[N]2C(C)C)C(C)C
• Title of publication: Catalytic Epoxidation of Enones Mediated by Zinc Alkylperoxide/tert-BuOOH Systems
• Authors of publication: Kubisiak, Marcin; Zelga, Karolina; Justyniak, Iwona; Tratkiewicz, Ewa; Pietrzak, Tomasz; Keeri, Abdul R.; Ochal, Zbigniew; Hartenstein, Larissa; Roesky, Peter W.; Lewiński, Janusz
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5263
• a: 9.213 ± 0.005 Å
• b: 10.141 ± 0.005 Å
• c: 11.961 ± 0.005 Å
• α: 96.618 ± 0.005°
• β: 109.132 ± 0.005°
• γ: 95.721 ± 0.005°
• Cell volume: 1037.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0467
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No