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Information card for entry 4026573
Preview
Coordinates | 4026573.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H16 Br N O3 |
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Calculated formula | C19 H16 Br N O3 |
SMILES | Brc1ccc([C@H]2[C@H]3[C@](c4ccccc4N3C(=O)C)(C(=O)C2)O)cc1.Brc1ccc([C@@H]2[C@@H]3[C@@](c4ccccc4N3C(=O)C)(C(=O)C2)O)cc1 |
Title of publication | Organocatalytic Asymmetric Michael Addition of 1-Acetylindolin-3-ones to α,β-Unsaturated Aldehydes: Synthesis of 2-Substituted Indolin-3-ones |
Authors of publication | Yao-Zong Liu; Jie Zhang; Peng-Fei Xu; Yong-Chun Luo |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 7551 - 7555 |
a | 8.663 ± 0.011 Å |
b | 9.218 ± 0.011 Å |
c | 12.471 ± 0.015 Å |
α | 82.408 ± 0.012° |
β | 80.41 ± 0.013° |
γ | 77.913 ± 0.014° |
Cell volume | 955 ± 2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1165 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for significantly intense reflections | 0.1157 |
Weighted residual factors for all reflections included in the refinement | 0.1368 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4026573.html
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