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Information card for entry 4108948
Preview
Coordinates | 4108948.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 N O |
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Calculated formula | C18 H20 N O |
SMILES | O=C1[C@@H](c2c3ccccc3[nH]c2)[C@@H](CC=C1C)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 | 10.397 ± 0.001 Å |
b | 10.6917 ± 0.001 Å |
c | 13.8862 ± 0.0013 Å |
α | 81.785 ± 0.002° |
β | 78.731 ± 0.002° |
γ | 88.759 ± 0.002° |
Cell volume | 1498.3 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0794 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1123 |
Weighted residual factors for all reflections included in the refinement | 0.1263 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4108948.html
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Users of the data should acknowledge the original authors of the
structural data.