Information card for entry 4021859

Structure parameters

• Formula: C23 H27 N O4
• Calculated formula: C23 H27 N O4
• SMILES: C1(=O)C=C(OC)C([C@@H]2CC(=O)C3=C4[C@](CC[C@H]3[C@]12C=O)([C@H](CC4)C#N)C)(C)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: 7.2373 ± 0.0004 Å
• b: 13.5582 ± 0.0008 Å
• c: 19.6995 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1933.01 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No