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Information card for entry 4029866
Preview
Coordinates | 4029866.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H20 Br N O3 |
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Calculated formula | C24 H20 Br N O3 |
SMILES | Brc1ccc([C@]2([C@@H](CC(=O)c3ccccc3)c3ccccc3N2)C(=O)OC)cc1.Brc1ccc([C@@]2([C@H](CC(=O)c3ccccc3)c3ccccc3N2)C(=O)OC)cc1 |
Title of publication | Rh(II)/Brønsted Acid Cocatalyzed Intramolecular Trapping of Ammonium Ylides with Enones: Diastereoselective Synthesis of 2,2,3-Trisubstituted Indolines. |
Authors of publication | Jiang, Liqin; Xu, Renqi; Kang, Zhenghui; Feng, Yixiao; Sun, Fengxia; Hu, Wenhao |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 17 |
Pages of publication | 8440 - 8446 |
a | 8.5954 ± 0.0006 Å |
b | 21.9171 ± 0.0016 Å |
c | 10.9128 ± 0.0008 Å |
α | 90° |
β | 105.471 ± 0.002° |
γ | 90° |
Cell volume | 1981.3 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0418 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.0724 |
Weighted residual factors for all reflections included in the refinement | 0.0774 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4029866.html
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