Information card for entry 1555239

Structure parameters

• Formula: C30 H46 N2 O2 Zn2
• Calculated formula: C30 H46 N2 O2 Zn2
• SMILES: c1(ccccc1)[Zn]1[O]([Zn](c2ccccc2)[N]2(C(CCCC2(C)C)(C)C)O1)N1C(CCCC1(C)C)(C)C
• Title of publication: Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.
• Authors of publication: Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz
• Journal of publication: Chemical science
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 30
• Pages of publication: 7149 - 7155
• a: 9.4169 ± 0.0003 Å
• b: 30.0759 ± 0.0006 Å
• c: 10.6586 ± 0.0003 Å
• α: 90°
• β: 106.582 ± 0.003°
• γ: 90°
• Cell volume: 2893.2 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No