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Information card for entry 4038038
Preview
| Coordinates | 4038038.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H26 O2 |
|---|---|
| Calculated formula | C20 H26 O2 |
| Title of publication | Ozone Oxidation of Silylalkene: Mechanistic Study and Application for the Synthesis of Silacarboxylic Acid Derivatives. |
| Authors of publication | Igawa, Kazunobu; Kawasaki, Yuuya; Nozaki, Sora; Kokan, Naoto; Tomooka, Katsuhiko |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| Journal volume | 85 |
| Journal issue | 6 |
| Pages of publication | 4165 - 4171 |
| a | 4.8245 ± 0.0005 Å |
| b | 13.1695 ± 0.0012 Å |
| c | 26.813 ± 0.003 Å |
| α | 90° |
| β | 90.043 ± 0.01° |
| γ | 90° |
| Cell volume | 1703.6 ± 0.3 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 3 |
| 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 | 0.1219 |
| Residual factor for significantly intense reflections | 0.0715 |
| Weighted residual factors for significantly intense reflections | 0.17 |
| Weighted residual factors for all reflections included in the refinement | 0.193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4038038.cif |
| 250089 | 2020-04-04 | cif/ Updating files of 4038038 Original log message: Adding full bibliography for 4038038.cif. |
4038038.cif |
| 249154 | 2020-03-07 | cif/ Adding structures of 4038038 via cif-deposit CGI script. |
4038038.cif |
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Users of the data should acknowledge the original authors of the
structural data.