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Information card for entry 1577374
Preview
| Coordinates | 1577374.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-phenyl-2-oxabicyclo[2.1.1]hexan-3-one |
|---|---|
| Formula | C11 H10 O2 |
| Calculated formula | C11 H10 O2 |
| Title of publication | Pulsed electrolysis enables unexpected lactonization of bicyclobutane carboxylic acids |
| Authors of publication | Makarov, Anton S.; Yi, Liang; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 7.572 ± 0.0002 Å |
| b | 5.5244 ± 0.0002 Å |
| c | 20.5726 ± 0.0007 Å |
| α | 90° |
| β | 93.618 ± 0.001° |
| γ | 90° |
| Cell volume | 858.85 ± 0.05 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 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 | 0.0345 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306219 (current) | 2026-06-04 | cif/ Adding structures of 1577374, 1577375 via cif-deposit CGI script. |
1577374.cif |
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