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Information card for entry 1574549
Preview
| Coordinates | 1574549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H14 O3 |
|---|---|
| Calculated formula | C13 H14 O3 |
| Title of publication | Synthesis of bicyclo[3.2.0]heptane lactones via a ligand-enabled Pd-catalyzed C(sp3)–H activation cascade |
| Authors of publication | Fan, Zhoulong; Cai, Xinpei; Sheng, Tao; Yu, Jin-Quan |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 6.5249 ± 0.0006 Å |
| b | 7.7533 ± 0.0009 Å |
| c | 11.3333 ± 0.001 Å |
| α | 90° |
| β | 103.142 ± 0.003° |
| γ | 90° |
| Cell volume | 558.33 ± 0.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0591 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1321 |
| Weighted residual factors for all reflections included in the refinement | 0.1387 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299450 (current) | 2025-04-30 | cif/ Adding structures of 1574549, 1574550 via cif-deposit CGI script. |
1574549.cif |
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