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Information card for entry 7160617
Preview
| Coordinates | 7160617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H16 F N3 O3 |
|---|---|
| Calculated formula | C21 H16 F N3 O3 |
| Title of publication | UV-assisted rearrangement of substituted 3-arylaminopyrazoles with an allomaltol fragment into tricyclic cyclopenta[4,5]pyrrolo[2,3-c]pyrazole derivatives |
| Authors of publication | Komogortsev, Andrey N.; Milyutin, Constantine V.; Lichitsky, Boris V.; Migulin, Vasily A. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.28605 ± 0.00011 Å |
| b | 14.2749 ± 0.0003 Å |
| c | 14.7953 ± 0.0003 Å |
| α | 63.9662 ± 0.0018° |
| β | 89.9415 ± 0.0012° |
| γ | 81.1842 ± 0.0013° |
| Cell volume | 1736.56 ± 0.06 Å3 |
| Cell temperature | 99.97 ± 0.15 K |
| Ambient diffraction temperature | 99.97 ± 0.15 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 | 0.0487 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1304 |
| Weighted residual factors for all reflections included in the refinement | 0.1333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300286 (current) | 2025-07-02 | cif/ Adding structures of 7160617, 7160618 via cif-deposit CGI script. |
7160617.cif |
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Users of the data should acknowledge the original authors of the
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