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Information card for entry 7250598
Preview
| Coordinates | 7250598.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 N O4 |
|---|---|
| Calculated formula | C16 H15 N O4 |
| Title of publication | Unlocking Enhanced Reactivity of Hexafluoroisopropanol: A Sustainable Atom Economical Approach to Selective Cascade di-π-Functionalization of Allenamides |
| Authors of publication | Mirza, Yafia Kousin; Bera, Partha Sarathi; Nandini, R.; Talukdar, Dhrubajyoti; Mohite, Sachin; Mane, Manoj V.; Bera, Milan |
| Journal of publication | Green Chemistry |
| Year of publication | 2025 |
| a | 6.8069 ± 0.0015 Å |
| b | 18.566 ± 0.005 Å |
| c | 20.81 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2629.9 ± 1 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c e |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.0917 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1712 |
| Weighted residual factors for all reflections included in the refinement | 0.1867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.181 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300246 (current) | 2025-06-28 | cif/ Adding structures of 7250598 via cif-deposit CGI script. |
7250598.cif |
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Users of the data should acknowledge the original authors of the
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