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Information card for entry 4038618
Preview
| Coordinates | 4038618.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H19 O4.5 |
|---|---|
| Calculated formula | C13 H19 O4.5 |
| Title of publication | Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols |
| Authors of publication | Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang |
| Journal of publication | The Journal of Organic Chemistry |
| Year of publication | 2020 |
| a | 28.3527 ± 0.0007 Å |
| b | 6.0676 ± 0.0001 Å |
| c | 14.7772 ± 0.0004 Å |
| α | 90° |
| β | 93.381 ± 0.001° |
| γ | 90° |
| Cell volume | 2537.74 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1124 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254608 (current) | 2020-07-28 | cif/ Adding structures of 4038617, 4038618, 4038619, 4038620 via cif-deposit CGI script. |
4038618.cif |
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Users of the data should acknowledge the original authors of the
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