Information card for entry 7125914

Structure parameters

• Formula: C122 H165 Br2 Mg2 O24
• Calculated formula: C122 H157.224 Br2 Mg2 O24
• 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: 11.973 ± 0.005 Å
• b: 26.293 ± 0.012 Å
• c: 39.008 ± 0.017 Å
• α: 90°
• β: 97.456 ± 0.012°
• γ: 90°
• Cell volume: 12176 ± 9 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158.58 K
• Number of distinct elements: 5
• 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: 0.1591
• Residual factor for significantly intense reflections: 0.1035
• Weighted residual factors for significantly intense reflections: 0.2816
• Weighted residual factors for all reflections included in the refinement: 0.3414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No