Information card for entry 1515947

Structure parameters

• Formula: C28 H37 N O5 Si
• Calculated formula: C28 H37 N O5 Si
• SMILES: [Si](OCC1=C2[C@@H]([C@@H]3C(=O)OC(=O)[C@@H]3C1)CC[C@H]1[C@@H]2C(=C)C[C@@H]1C(=O)n1cccc1)(C)(C(C)(C)C)C
• Title of publication: An approach for rapid increase in molecular complexity: atom economic routes to fused polycyclic ring systems.
• Authors of publication: Trost, Barry M.; Ehmke, Veronika
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 2708 - 2711
• a: 15.368 ± 0.0003 Å
• b: 55.574 ± 0.0013 Å
• c: 6.2795 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5363.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No