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Information card for entry 4036495
Preview
| Coordinates | 4036495.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H26 Br N O |
|---|---|
| Calculated formula | C23 H26 Br N O |
| SMILES | Brc1c(c2oc(cc2N(C(C)C)C(C)C)c2ccccc2)ccc(c1)C |
| Title of publication | LDA-Promoted Synthesis of 3-Amino Furans by Selective Lithiation of Enaminones. |
| Authors of publication | Kong, Lingkai; Shao, Yushang; Li, Yanli; Liu, Yuanyuan; Li, Yanzhong |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 24 |
| Pages of publication | 12641 - 12645 |
| a | 10.2984 ± 0.001 Å |
| b | 10.7386 ± 0.0011 Å |
| c | 11.0409 ± 0.0011 Å |
| α | 117.583 ± 0.002° |
| β | 107.719 ± 0.002° |
| γ | 91.208 ± 0.002° |
| Cell volume | 1011.74 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0442 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234771 (current) | 2019-11-23 | cif/ Adding structures of 4036495 via cif-deposit CGI script. |
4036495.cif |
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Users of the data should acknowledge the original authors of the
structural data.