Information card for entry 4108947

Structure parameters

• Formula: C20 H23 N O4
• Calculated formula: C20 H23 N O4
• SMILES: O=C1N(c2c([C@]31OC([C@@H]1CC=C(C)C(=O)[C@@H]31)(C)C)cccc2)COC
• Title of publication: Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach
• Authors of publication: Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17938 - 17954
• a: 8.8284 ± 0.0008 Å
• b: 10.9857 ± 0.001 Å
• c: 9.6627 ± 0.0009 Å
• α: 90°
• β: 108.057 ± 0.001°
• γ: 90°
• Cell volume: 890.99 ± 0.14 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No