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Information card for entry 1553618
Preview
| Coordinates | 1553618.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 N O4 |
|---|---|
| Calculated formula | C17 H17 N O4 |
| SMILES | c1(cc2c(cccc2/C=C/C(=O)OC)n1C)/C=C/C(=O)OC |
| Title of publication | One-pot synthesis of fluorescent 2,4-dialkenylindoles by rhodium-catalyzed dual C‒H functionalization |
| Authors of publication | Chen, Hui; Lin, Cong; Xiong, Chunhua; Liu, Zhanxiang; Zhang, Yuhong |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 3 |
| Pages of publication | 455 |
| a | 5.7832 ± 0.0006 Å |
| b | 10.4921 ± 0.0011 Å |
| c | 12.3215 ± 0.0012 Å |
| α | 90.576 ± 0.003° |
| β | 97.913 ± 0.002° |
| γ | 93.157 ± 0.003° |
| Cell volume | 739.28 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1123 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235213 (current) | 2019-11-23 | cif/ Adding structures of 1553618 via cif-deposit CGI script. |
1553618.cif |
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Users of the data should acknowledge the original authors of the
structural data.