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Information card for entry 1574719
Preview
| Coordinates | 1574719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 O3 |
|---|---|
| Calculated formula | C19 H18 O3 |
| Title of publication | Photocatalytic Synthesis of 2-Oxabicyclo[2.1.1]hexanes: Cobalt-Enhanced Efficiency |
| Authors of publication | Tang, Si-Yuan; Wang, Zhan-Jie; Xing, Zhi-Xi; Du, Ze-Yi; Huang, Huan-Ming |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 10.8872 ± 0.0003 Å |
| b | 8.5462 ± 0.0003 Å |
| c | 32.7304 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3045.37 ± 0.16 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299815 (current) | 2025-05-27 | cif/ Adding structures of 1574719 via cif-deposit CGI script. |
1574719.cif |
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Users of the data should acknowledge the original authors of the
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