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Information card for entry 1572906
Preview
| Coordinates | 1572906.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H29 N O5 |
|---|---|
| Calculated formula | C21 H29 N O5 |
| Title of publication | Oxidative generation of isobenzofurans from phthalans: application to the formal synthesis of (±)-morphine |
| Authors of publication | Kage, Mirai; Yamakoshi, Hiroyuki; Tabata, Manami; Ohashi, Eisaku; Noguchi, Kimihiro; Watanabe, Takeshi; Uchida, Manato; Takada, Minetatsu; Ikeuchi, Kazutada; Nakamura, Seiichi |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 7.6082 ± 0.0004 Å |
| b | 11.0116 ± 0.0011 Å |
| c | 10.8744 ± 0.0013 Å |
| α | 89.49 ± 0.009° |
| β | 98.254 ± 0.007° |
| γ | 89.986 ± 0.006° |
| Cell volume | 901.57 ± 0.15 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1234 |
| Residual factor for significantly intense reflections | 0.1083 |
| Weighted residual factors for significantly intense reflections | 0.2898 |
| Weighted residual factors for all reflections included in the refinement | 0.3177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.322 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295552 (current) | 2024-10-20 | cif/ Adding structures of 1572906 via cif-deposit CGI script. |
1572906.cif |
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Users of the data should acknowledge the original authors of the
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