Information card for entry 4026243

Structure parameters

• Common name: 08111
• Formula: C20 H29 N O4
• Calculated formula: C20 H29 N O4
• SMILES: O(C(=O)N1CC[C@]23O[C@H](C=C2)CC(=O)[C@@H]13)[C@@H]1C[C@H](C)CC[C@H]1C(C)C.O=C(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)N1CC[C@@]23O[C@@H](C=C2)CC(=O)[C@H]13
• Title of publication: Developing a Diastereoselective Intramolecular [4 + 3] Cycloaddition of Nitrogen-Stabilized Oxyallyl Cations Derived from N-Sulfonyl-Substituted Allenamides
• Authors of publication: Andrew G. Lohse; Richard P. Hsung; Mitchell D. Leider; Sunil K. Ghosh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 3246 - 3257
• a: 10.069 ± 0.005 Å
• b: 9.734 ± 0.005 Å
• c: 19.568 ± 0.009 Å
• α: 90°
• β: 93.939 ± 0.007°
• γ: 90°
• Cell volume: 1913.4 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No