Information card for entry 1568080

Structure parameters

• Formula: C70 H108 Mg2 O6
• Calculated formula: C70 H108 Mg2 O6
• Title of publication: Bulky magnesium(ii) and sodium(i) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates.
• Authors of publication: Zhao, Xue; Ratanasak, Manussada; Kon, Kazumasa; Hasegawa, Jun-Ya; Ishihara, Kazuaki
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 566 - 572
• a: 16.249 ± 0.0005 Å
• b: 10.644 ± 0.0003 Å
• c: 19.0878 ± 0.0005 Å
• α: 90°
• β: 96.071 ± 0.003°
• γ: 90°
• Cell volume: 3282.8 ± 0.16 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No