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Information card for entry 1574802
Preview
| Coordinates | 1574802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H40 O4 |
|---|---|
| Calculated formula | C29 H40 O4 |
| Title of publication | Single-Carbon-Atom Transfer to para-Quinone Methides from TMSCF2Br |
| Authors of publication | Sun, Ruikang; Zhang, Pei; Yan, Yong; Zhu, Jie; Chen, Qirui; Yang, Chi; Lin, Aijun; Li, Xuanyi; Gao, Shang; Yao, Hequan |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 10.6394 ± 0.0006 Å |
| b | 10.7112 ± 0.0006 Å |
| c | 23.9695 ± 0.0013 Å |
| α | 90.188 ± 0.002° |
| β | 102.38 ± 0.002° |
| γ | 104.147 ± 0.002° |
| Cell volume | 2582.7 ± 0.3 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.142 |
| Residual factor for significantly intense reflections | 0.0866 |
| Weighted residual factors for significantly intense reflections | 0.222 |
| Weighted residual factors for all reflections included in the refinement | 0.2458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299966 (current) | 2025-06-05 | cif/ Adding structures of 1574802 via cif-deposit CGI script. |
1574802.cif |
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Users of the data should acknowledge the original authors of the
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