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Information card for entry 7249695
Preview
| Coordinates | 7249695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H29 N O5 S2 |
|---|---|
| Calculated formula | C36 H29 N O5 S2 |
| Title of publication | Atom-economical and workup-free multiparticipation of p‑TsOH in yne-ynamides skeletal reshuffle: Access to regiospecific, chemospecific, and stereospecific (E)‑alkenyl sulfonate/ketone– tethered indoles |
| Authors of publication | Mutra, Mohana Reddy; Chandana, T. L.; Wang, Jeh-Jeng |
| Journal of publication | Green Chemistry |
| Year of publication | 2024 |
| a | 10.0336 ± 0.0002 Å |
| b | 11.9429 ± 0.0002 Å |
| c | 13.2152 ± 0.0002 Å |
| α | 87.388 ± 0.001° |
| β | 78.345 ± 0.001° |
| γ | 75.543 ± 0.001° |
| Cell volume | 1501.8 ± 0.05 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296868 (current) | 2024-12-14 | cif/ Adding structures of 7249694, 7249695 via cif-deposit CGI script. |
7249695.cif |
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Users of the data should acknowledge the original authors of the
structural data.