Information card for entry 1568256

Structure parameters

• Formula: C35 H52 N2 Zn
• Calculated formula: C35 H52 N2 Zn
• Title of publication: Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.
• Authors of publication: Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1590 - 1597
• a: 11.2164 ± 0.0003 Å
• b: 20.8079 ± 0.0005 Å
• c: 14.1171 ± 0.0004 Å
• α: 90°
• β: 96.264 ± 0.002°
• γ: 90°
• Cell volume: 3275.12 ± 0.15 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No