Information card for entry 7020100

Structure parameters

• Formula: C61 H90 Mg N2 O3
• Calculated formula: C61 H90 Mg N2 O3
• Title of publication: Synthetic and catalytic intermediates in a magnesium promoted Tishchenko reaction.
• Authors of publication: Day, Benjamin M.; Knowelden, William; Coles, Martyn P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 10930 - 10933
• a: 13.4403 ± 0.0002 Å
• b: 15.2099 ± 0.0003 Å
• c: 15.6483 ± 0.0003 Å
• α: 89.851 ± 0.001°
• β: 89.801 ± 0.001°
• γ: 65.227 ± 0.001°
• Cell volume: 2904.51 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0736
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.791
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No