Information card for entry 1568254

Structure parameters

• Formula: C33 H48 N2 Zn
• Calculated formula: C33 H48 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: 10.7471 ± 0.0007 Å
• b: 21.2654 ± 0.0008 Å
• c: 13.8275 ± 0.0007 Å
• α: 90°
• β: 93.143 ± 0.004°
• γ: 90°
• Cell volume: 3155.4 ± 0.3 ų
• Cell temperature: 173.05 ± 0.1 K
• Ambient diffraction temperature: 173.05 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No