Information card for entry 4036563

Structure parameters

• Common name: 72 in manuscript
• Formula: C26 H44 O4 Si2
• Calculated formula: C26 H44 O4 Si2
• Title of publication: Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.
• Authors of publication: Essig, Sebastian; Menche, Dirk
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 5
• Pages of publication: 1943 - 1966
• a: 14.6819 ± 0.0006 Å
• b: 27.0915 ± 0.0011 Å
• c: 15.1614 ± 0.0007 Å
• α: 90°
• β: 91.392 ± 0.001°
• γ: 90°
• Cell volume: 6028.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No