Information card for entry 1572906
| 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 |
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The link is:
https://www.crystallography.net/1572906.html
