Information card for entry 4036560

Structure parameters

• Common name: 54 in manuscript
• Formula: C28 H38 O5 Si
• Calculated formula: C28 H38 O5 Si
• 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: 7.5558 ± 0.001 Å
• b: 13.3993 ± 0.0017 Å
• c: 14.2195 ± 0.0018 Å
• α: 83.276 ± 0.003°
• β: 80.259 ± 0.003°
• γ: 78.211 ± 0.003°
• Cell volume: 1383.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No