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Information card for entry 1574241
Preview
| Coordinates | 1574241.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H29 N3 O3 |
|---|---|
| Calculated formula | C28 H29 N3 O3 |
| Title of publication | Transforming 2D Azolium Salts to 3D Caged Tertiary Amines via Stereoselective Dearomative Cascade Annulation |
| Authors of publication | Patra, Koushik; Deb, Samiran; Choutipalli, Venkata Surya Kumar; Mulani, Sana; Mallik, Sumitava; Subramanian, Venkatesan; Baidya, Mahiuddin |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 17.517 ± 0.0013 Å |
| b | 14.5182 ± 0.0009 Å |
| c | 9.5517 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2429.1 ± 0.3 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0898 |
| Residual factor for significantly intense reflections | 0.0743 |
| Weighted residual factors for significantly intense reflections | 0.1548 |
| Weighted residual factors for all reflections included in the refinement | 0.1627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298607 (current) | 2025-03-27 | cif/ Adding structures of 1574241 via cif-deposit CGI script. |
1574241.cif |
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