Information card for entry 4022754

Structure parameters

• Formula: C18 H21 N O5 Si
• Calculated formula: C18 H21 N O5 Si
• SMILES: [Si]([C@H]1C2=C(C3=C(C1)[C@@H]1O[C@H]3[C@@H]3[C@H]1C(=O)OC3=O)CN(C2=O)C)(C)(C)C.[Si]([C@@H]1C2=C(C3=C(C1)[C@H]1O[C@@H]3[C@H]3[C@@H]1C(=O)OC3=O)CN(C2=O)C)(C)(C)C
• Title of publication: A New Route to Highly Functionalized Heterocyclic Rings
• Authors of publication: Philip J. Parsons; Alexander J. Waters; Daryl S. Walter; Johnathan Board
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 1395 - 1398
• a: 11.0822 ± 0.001 Å
• b: 12.3187 ± 0.0009 Å
• c: 14.3552 ± 0.0012 Å
• α: 78.825 ± 0.004°
• β: 81.987 ± 0.004°
• γ: 71.987 ± 0.004°
• Cell volume: 1821.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1387
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No