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Information card for entry 7157159
Preview
| Coordinates | 7157159.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H26 N2 O3 |
|---|---|
| Calculated formula | C24 H26 N2 O3 |
| Title of publication | A gold-triggered dearomative spirocarbocyclization/Diels-Alder reaction cascade towards diverse bridged N-heterocycles. |
| Authors of publication | He, Yi; Narmon, Thomas; Wu, Danjun; Li, Zhenghua; Van Meervelt, Luc; Van der Eycken, Erik V. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 43 |
| Pages of publication | 9529 |
| a | 11.7236 ± 0.0005 Å |
| b | 11.754 ± 0.0005 Å |
| c | 17.2404 ± 0.0008 Å |
| α | 73.252 ± 0.004° |
| β | 73.789 ± 0.004° |
| γ | 71.074 ± 0.004° |
| Cell volume | 2106.24 ± 0.17 Å3 |
| Cell temperature | 294.15 K |
| Ambient diffraction temperature | 294.15 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 | 0.09 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.123 |
| Weighted residual factors for all reflections included in the refinement | 0.1407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157159.cif |
| 225314 | 2019-11-08 | cif/ Updating files of 7157158, 7157159 Original log message: Adding full bibliography for 7157158--7157159.cif. |
7157159.cif |
| 219480 | 2019-10-24 | cif/ Adding structures of 7157159 via cif-deposit CGI script. |
7157159.cif |
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Users of the data should acknowledge the original authors of the
structural data.