Information card for entry 1503597

Structure parameters

• Formula: C26 H41 N O5 Si
• Calculated formula: C26 H41 N O5 Si
• SMILES: [Si](OC(=C=C(C)C(c1ccccc1)CN(=O)=O)C(=O)OC(C)(C)C)(C(C)C)(C(C)C)C(C)C
• Title of publication: Construction of cyclopentanol derivatives via three-component coupling of silyl glyoxylates, acetylides, and nitroalkenes.
• Authors of publication: Boyce, Gregory R.; Liu, Shubin; Johnson, Jeffrey S.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 652 - 655
• a: 9.6171 ± 0.0002 Å
• b: 12.0518 ± 0.0003 Å
• c: 12.9794 ± 0.0003 Å
• α: 69.417 ± 0.002°
• β: 87.631 ± 0.001°
• γ: 73.582 ± 0.002°
• Cell volume: 1348.08 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.07
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CUKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No