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Information card for entry 7159046
Preview
| Coordinates | 7159046.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (E)-4,4-dimethyl-1-(3-nitro-1H-indol-1-yl)-1-phenylpent-1-en-3-one |
|---|---|
| Formula | C21 H20 N2 O3 |
| Calculated formula | C21 H20 N2 O3 |
| Title of publication | Phosphine-catalysed denitrative rearomatising (3 + 2) annulation of α,β-ynones and 3-nitroindoles. |
| Authors of publication | Dutta, Lona; Chattopadhyay, Anwita; Yadav, Nisha; Ramasastry, S. S. V. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2023 |
| Journal volume | 21 |
| Journal issue | 4 |
| Pages of publication | 738 - 742 |
| a | 9.9977 ± 0.0007 Å |
| b | 10.0721 ± 0.0007 Å |
| c | 10.6301 ± 0.0008 Å |
| α | 73.343 ± 0.007° |
| β | 82.375 ± 0.006° |
| γ | 63.636 ± 0.007° |
| Cell volume | 918.83 ± 0.13 Å3 |
| Cell temperature | 293 ± 1 K |
| Ambient diffraction temperature | 293 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.11 |
| Residual factor for significantly intense reflections | 0.0648 |
| Weighted residual factors for significantly intense reflections | 0.1642 |
| Weighted residual factors for all reflections included in the refinement | 0.2074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281568 (current) | 2023-03-04 | cif/ Updating files of 7159046 Original log message: Adding full bibliography for 7159046.cif. |
7159046.cif |
| 279961 | 2022-12-21 | cif/ Adding structures of 7159046 via cif-deposit CGI script. |
7159046.cif |
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Users of the data should acknowledge the original authors of the
structural data.