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Information card for entry 7132149
Preview
| Coordinates | 7132149.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H22 N2 O |
|---|---|
| Calculated formula | C27 H22 N2 O |
| SMILES | O=C1C[C@@]2(c3ccccc3N[C@@H]2c2c3c([nH]c2)c(ccc3)C)C(=C1)c1ccccc1.O=C1C[C@]2(c3ccccc3N[C@H]2c2c3c([nH]c2)c(ccc3)C)C(=C1)c1ccccc1 |
| Title of publication | Ag(I)-Catalyzed Dearomatizing Spirocyclization/Nucleophile Addition Cascade Reactions of Indole-tethered Ynones |
| Authors of publication | Bag, Debojyoti; Sawant, Sanghapal D. |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 37.641 ± 0.003 Å |
| b | 7.1425 ± 0.0006 Å |
| c | 15.2538 ± 0.0012 Å |
| α | 90° |
| β | 99.978 ± 0.003° |
| γ | 90° |
| Cell volume | 4039 ± 0.6 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0857 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1374 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286470 (current) | 2023-09-23 | cif/ Adding structures of 7132148, 7132149 via cif-deposit CGI script. |
7132149.cif |
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