Information card for entry 1512090

Structure parameters

• Formula: C28 H37 N O5 Si
• Calculated formula: C28 H37 N O5 Si
• SMILES: [Si](n1c2ccccc2c(c1)[C@@H](c1ccc(OC)cc1)CC(C(=O)OC)C(=O)OC)(C)(C)C(C)(C)C
• Title of publication: Asymmetric Synthesis of Indole Homo-Michael Adducts via Dynamic Kinetic Friedel‒Crafts Alkylation with Cyclopropanes
• Authors of publication: Wales, Steven M.; Walker, Morgan M.; Johnson, Jeffrey S.
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 2558
• a: 7.5725 ± 0.0003 Å
• b: 15.488 ± 0.0006 Å
• c: 11.7937 ± 0.0005 Å
• α: 90°
• β: 100.558 ± 0.001°
• γ: 90°
• Cell volume: 1359.78 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No