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Information card for entry 7159781
Preview
| Coordinates | 7159781.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 N O3 |
|---|---|
| Calculated formula | C21 H19 N O3 |
| Title of publication | One-pot synthesis of benzofused 8-oxabicyclo[3.3.1]nonanes <i>via</i> GaCl<sub>3</sub>-mediated cyclocondensation of <i>o</i>-allylbenzaldehydes and 1,3-dicarbonyl synthons. |
| Authors of publication | Chang, Meng-Yang; Lee, Yan-Ling |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 8 |
| Pages of publication | 1646 - 1653 |
| a | 8.386 ± 0.0002 Å |
| b | 8.637 ± 0.0002 Å |
| c | 12.3414 ± 0.0003 Å |
| α | 103.452 ± 0.002° |
| β | 95.93 ± 0.002° |
| γ | 103.91 ± 0.002° |
| Cell volume | 831.78 ± 0.04 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 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 | 0.05 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| 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 |
|---|---|---|---|
| 290257 (current) | 2024-03-04 | cif/ Updating files of 7159780, 7159781, 7159782 Original log message: Adding full bibliography for 7159780--7159782.cif. |
7159781.cif |
| 289200 | 2024-01-30 | cif/ Adding structures of 7159780, 7159781, 7159782 via cif-deposit CGI script. |
7159781.cif |
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Users of the data should acknowledge the original authors of the
structural data.