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Information card for entry 7158677
Preview
| Coordinates | 7158677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H23 N3 O3 S |
|---|---|
| Calculated formula | C27 H23 N3 O3 S |
| Title of publication | A synthesis of 2-amino-3-cyanopyrroles from terminal alkynes, sulfonyl azides and phenacylmalononitriles |
| Authors of publication | Yavari, Issa; Ghorbanzadeh , Meysam; Akbarzadeh, Somayeh |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2022 |
| a | 17.402 ± 0.004 Å |
| b | 11.109 ± 0.002 Å |
| c | 25.127 ± 0.01 Å |
| α | 90° |
| β | 101.82 ± 0.03° |
| γ | 90° |
| Cell volume | 4755 ± 2 Å3 |
| Cell temperature | 290 K |
| Ambient diffraction temperature | 290 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/c 1 |
| Hall space group symbol | -I 2yc |
| Residual factor for all reflections | 0.0628 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1263 |
| Weighted residual factors for all reflections included in the refinement | 0.1318 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| 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 |
|---|---|---|---|
| 275211 (current) | 2022-05-08 | cif/ Adding structures of 7158677 via cif-deposit CGI script. |
7158677.cif |
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Users of the data should acknowledge the original authors of the
structural data.