Information card for entry 4107878

Structure parameters

• Formula: C29 H49 Cl O3 Si
• Calculated formula: C29 H49 Cl O3 Si
• SMILES: c1ccccc1COC[C@@H]([C@@H]1C[C@@H](C2(CCCCC2)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)OC)Cl.c1ccccc1COC[C@H]([C@H]1C[C@H](C2(CCCCC2)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)OC)Cl
• Title of publication: Control of up to Five Stereocenters in a Cascade Reaction: Synthesis of Highly Functionalized Five-Membered Rings
• Authors of publication: Hao Li; Teck-Peng Loh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7194 - 7195
• a: 10.5848 ± 0.0004 Å
• b: 10.8318 ± 0.0004 Å
• c: 14.6865 ± 0.0005 Å
• α: 105.455 ± 0.002°
• β: 109.497 ± 0.002°
• γ: 98.896 ± 0.002°
• Cell volume: 1473.89 ± 0.1 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: 0.0677
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No