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Information card for entry 1572168
Preview
| Coordinates | 1572168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H52 O6 |
|---|---|
| Calculated formula | C42 H52 O6 |
| Title of publication | Biomimetic total synthesis of the reported structure of (+)-selaginedorffone B |
| Authors of publication | Kundu, Sourav; Jana, Debgopal; Mandal, Nilangshu; Mondal, Ayan; Murmu, Ranjit; Roy, Nanda Kishore; Datta, Ayan; Bisai, Alakesh |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 6.7962 ± 0.0001 Å |
| b | 21.0544 ± 0.0002 Å |
| c | 25.6129 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3664.95 ± 0.07 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.042 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293538 (current) | 2024-07-26 | cif/ Adding structures of 1572167, 1572168, 1572169 via cif-deposit CGI script. |
1572168.cif |
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Users of the data should acknowledge the original authors of the
structural data.