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Information card for entry 7159154
Preview
| Coordinates | 7159154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H14 O4 |
|---|---|
| Calculated formula | C19 H14 O4 |
| Title of publication | Base-promoted cyclization of <i>ortho</i>-hydroxyacetophenones with <i>in situ</i> generated cyclopropenes: diastereoselective access to spirobenzo[<i>b</i>]oxepines and related precursors. |
| Authors of publication | Prakash, Meher; Samanta, Sampak |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2023 |
| Journal volume | 21 |
| Journal issue | 9 |
| Pages of publication | 2001 - 2014 |
| a | 8.5674 ± 0.0006 Å |
| b | 9.4995 ± 0.0007 Å |
| c | 9.95 ± 0.0007 Å |
| α | 85.1 ± 0.006° |
| β | 81.305 ± 0.006° |
| γ | 68.735 ± 0.007° |
| Cell volume | 745.57 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0719 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1447 |
| Weighted residual factors for all reflections included in the refinement | 0.1533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0415 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281598 (current) | 2023-03-04 | cif/ Updating files of 7159154, 7159155 Original log message: Adding full bibliography for 7159154--7159155.cif. |
7159154.cif |
| 281030 | 2023-02-20 | cif/ Adding structures of 7159154, 7159155 via cif-deposit CGI script. |
7159154.cif |
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Users of the data should acknowledge the original authors of the
structural data.