Information card for entry 4108944

Structure parameters

• Formula: C25 H35 Cl N2 O5
• Calculated formula: C25 H35 Cl N2 O5
• SMILES: Cl[C@H]1[C@@]([C@@H](NC=O)[C@H]2[C@@]3(O)c4ccccc4N[C@@]3(O)C([C@H]2C1)(C)C)(C)C=C.O=C(OCC)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: 9.669 ± 0.0019 Å
• b: 13.587 ± 0.003 Å
• c: 19.429 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2552.4 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1034
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No