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Information card for entry 1574818
Preview
| Coordinates | 1574818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H22 N2 O2 |
|---|---|
| Calculated formula | C27 H22 N2 O2 |
| Title of publication | Strain-Release Driven Spirocyclization of Bicyclo[1.1.0]butanes: Access to 6,7-Diazaspiro[3.4]octane |
| Authors of publication | Jiang, Qin; Dong, Jianyang; Lei, Fang; Yu, Dejiang; Li, Ting; Sun, Huaming; Xue, Dong |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 15.068 ± 0.0011 Å |
| b | 6.3158 ± 0.0005 Å |
| c | 22.0503 ± 0.0016 Å |
| α | 90° |
| β | 100.439 ± 0.003° |
| γ | 90° |
| Cell volume | 2063.7 ± 0.3 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0824 |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.154 |
| Weighted residual factors for all reflections included in the refinement | 0.1616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299984 (current) | 2025-06-06 | cif/ Adding structures of 1574818 via cif-deposit CGI script. |
1574818.cif |
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Users of the data should acknowledge the original authors of the
structural data.