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Information card for entry 7134724
Preview
| Coordinates | 7134724.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H27 Br O3 |
|---|---|
| Calculated formula | C21 H27 Br O3 |
| Title of publication | Asymmetric total syntheses of immunosuppressive diterpenoids triptobenzenes N and R via a remote Csp3-H functionalization |
| Authors of publication | Roy, Nanda Kishore; Murmu, Ranjit; Munda, Mintu; Niyogi, Sovan; Bisai, Alakesh |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 10.3749 ± 0.0002 Å |
| b | 8.4178 ± 0.0001 Å |
| c | 11.3443 ± 0.0002 Å |
| α | 90° |
| β | 100.01 ± 0.002° |
| γ | 90° |
| Cell volume | 975.66 ± 0.03 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0989 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| 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 |
|---|---|---|---|
| 300103 (current) | 2025-06-18 | cif/ Adding structures of 7134724, 7134725 via cif-deposit CGI script. |
7134724.cif |
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