Information card for entry 4021861

Structure parameters

• Formula: C30 H37 N O3 Si
• Calculated formula: C30 H37 N O3 Si
• SMILES: [Si]([C@H]1CC(=O)[C@]2([C@@H](C1(C)C)CC(=O)C1=C3[C@](CC[C@H]21)([C@H](CC3)C#N)C)C=O)(C)(c1ccccc1)C
• Title of publication: Synthetic Studies toward Highly Functionalized 5β-Lanosterol Derivatives: A Versatile Approach Utilizing Anionic Cycloaddition
• Authors of publication: Sreekanth A. Ramachandran; Rajendra K. Kharul; Sylvain Marque; Pierre Soucy; Frédéric Jacques; Robert Chênevert; Pierre Deslongc
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6149 - 6156
• a: 6.5874 ± 0.0007 Å
• b: 12.1639 ± 0.0013 Å
• c: 32.34 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2591.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No