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Information card for entry 1551098
Preview
| Coordinates | 1551098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 Cl N O3 |
|---|---|
| Calculated formula | C21 H18 Cl N O3 |
| SMILES | c1(c(cc2c(c(ccn12)c1ccc(cc1)Cl)C(=O)OCC)C=O)C1CC1 |
| Title of publication | Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate |
| Authors of publication | Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 13.421 ± 0.002 Å |
| b | 9.1933 ± 0.0015 Å |
| c | 14.5321 ± 0.0018 Å |
| α | 90° |
| β | 91.484 ± 0.004° |
| γ | 90° |
| Cell volume | 1792.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1943 |
| Residual factor for significantly intense reflections | 0.1746 |
| Weighted residual factors for significantly intense reflections | 0.4876 |
| Weighted residual factors for all reflections included in the refinement | 0.5549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.432 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215428 (current) | 2019-05-23 | cif/ Adding structures of 1551094, 1551095, 1551096, 1551097, 1551098, 1551099 via cif-deposit CGI script. |
1551098.cif |
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Users of the data should acknowledge the original authors of the
structural data.