Information card for entry 7125912

Structure parameters

• Formula: C251.55 H351.03 Br0.06 Mg4 O44
• Calculated formula: C251.548 H351.031 Br0.0646 Mg4 O44
• Title of publication: Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.
• Authors of publication: Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1381 - 1384
• a: 14.01 ± 0.0007 Å
• b: 17.806 ± 0.0009 Å
• c: 25.7096 ± 0.0013 Å
• α: 95.703 ± 0.002°
• β: 103.75 ± 0.002°
• γ: 102.801 ± 0.002°
• Cell volume: 5996.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 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: 0.1076
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2101
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No