Information card for entry 4108943

Structure parameters

• Formula: C20 H22 Cl N O2
• Calculated formula: C20 H22 Cl N O2
• SMILES: Cl[C@H]1[C@@](C(=O)[C@@H]2[C@@]3(c4ccccc4NC3=O)C([C@H]2C1)(C)C)(C)C=C
• 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: 11.4597 ± 0.0016 Å
• b: 11.4597 ± 0.0016 Å
• c: 12.611 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1434.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No