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Information card for entry 7135105
Preview
| Coordinates | 7135105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H26 N O2 Se |
|---|---|
| Calculated formula | C27 H26 N O2 Se |
| Title of publication | Electrophilic Aryl Migration of N-Benzyl Propiolamides to Functionalized-Acrylamides |
| Authors of publication | Chada, Raji Reddy; Vinaya, Puthiya Purayil; Ajaykumar, Uprety; Nagendraprasad, Thallamapuram |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 5.4585 ± 0.0011 Å |
| b | 20.644 ± 0.003 Å |
| c | 21.236 ± 0.003 Å |
| α | 90° |
| β | 93.871 ± 0.011° |
| γ | 90° |
| Cell volume | 2387.5 ± 0.7 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0855 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302978 (current) | 2025-10-24 | cif/ Adding structures of 7135105 via cif-deposit CGI script. |
7135105.cif |
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Users of the data should acknowledge the original authors of the
structural data.