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Information card for entry 1553884
Preview
| Coordinates | 1553884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 O |
|---|---|
| Calculated formula | C19 H20 O |
| SMILES | O(CCCC1=CC2(c3c4c(cccc4)ccc13)CC2)C |
| Title of publication | Gold(i) catalyzed cascade cyclization: intramolecular two-fold nucleophilic addition to vinylidenecyclopropanes (VDCPs) |
| Authors of publication | Zang, Wenqing; Wei, Yin; Shi, Min |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 2 |
| Pages of publication | 197 |
| a | 8.859 ± 0.0015 Å |
| b | 21.377 ± 0.004 Å |
| c | 8.0979 ± 0.0014 Å |
| α | 90° |
| β | 106.44 ± 0.004° |
| γ | 90° |
| Cell volume | 1470.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0664 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236121 (current) | 2019-11-24 | cif/ Adding structures of 1553884 via cif-deposit CGI script. |
1553884.cif |
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