Information card for entry 1555240

Structure parameters

• Formula: C30 H46 N2 O2 Zn
• Calculated formula: C30 H46 N2 O2 Zn
• SMILES: c1(ccccc1)[Zn](c1ccccc1)[O]=[N]1C(CCCC1(C)C)(C)C.C1(CCCC(C)(C)[N]1=O)(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: 10.525 ± 0.0004 Å
• b: 22.503 ± 0.0007 Å
• c: 12.296 ± 0.0004 Å
• α: 90°
• β: 95.834 ± 0.001°
• γ: 90°
• Cell volume: 2897.15 ± 0.17 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: 0.0575
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No