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Information card for entry 1554903
Preview
| Coordinates | 1554903.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 N2 O3 |
|---|---|
| Calculated formula | C19 H20 N2 O3 |
| SMILES | O1Cc2c(c3n(N=C(CCCC3)C(=O)OC)c2c2ccccc2)C1 |
| Title of publication | Rh(i)-Catalyzed intramolecular [2 + 2 + 1] cycloaddition of diynes with the N-terminal of the diazo group |
| Authors of publication | Wang, Bo; Wang, Yuankai; Wang, Zixuan; Wang, Jianbo |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 14 |
| Pages of publication | 2329 |
| a | 6.5666 ± 0.0003 Å |
| b | 16.4713 ± 0.0006 Å |
| c | 8.0376 ± 0.0004 Å |
| α | 90° |
| β | 111.405 ± 0.005° |
| γ | 90° |
| Cell volume | 809.39 ± 0.07 Å3 |
| Cell temperature | 180 ± 0.1 K |
| Ambient diffraction temperature | 180 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238194 (current) | 2019-11-24 | cif/ Adding structures of 1554903 via cif-deposit CGI script. |
1554903.cif |
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