Information card for entry 7124779

Structure parameters

• Formula: C48 H69 N O6 Si2
• Calculated formula: C48 H69 N O6 Si2
• Title of publication: Tunable reactivity of geminal bis(silyl) enol derivatives leading to selective exo-IEDDA or Sakurai allylation with a β,γ-unsaturated ketoester.
• Authors of publication: Gan, Zubao; Chu, Zhiwen; Hu, Jia; Su, Zhishan; Hu, Changwei; Gao, Lu; Song, Zhenlei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 66
• Pages of publication: 10137 - 10140
• a: 10.50766 ± 0.00019 Å
• b: 14.738 ± 0.0002 Å
• c: 35.4339 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5487.36 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No