Information card for entry 4036561

Structure parameters

• Common name: 57 in manuscript
• Formula: C32 H59 N O4 Si2
• Calculated formula: C32 H59 N O4 Si2
• SMILES: [Si](Oc1c(ccc([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](C=C)C)c1C(=O)N(C(C)C)C(C)C)C)(C)(C)C(C)(C)C
• 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: 11.406 ± 0.003 Å
• b: 13.239 ± 0.003 Å
• c: 23.993 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3623 ± 1.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0796
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No