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Information card for entry 7160497
Preview
| Coordinates | 7160497.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H24 N2 O5 |
|---|---|
| Calculated formula | C21 H24 N2 O5 |
| Title of publication | The Simple Route to 2,3-Benzodiazepines from Substituted Indenes |
| Authors of publication | Tarasova, Ekaterina S.; Shurupova, Olga V.; Rzhevskiy, Sergey; Minaeva, Lidiya; Topchiy, Maxim; Asachenko, Andrey |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 7.6144 ± 0.0009 Å |
| b | 9.7829 ± 0.0011 Å |
| c | 14.133 ± 0.0015 Å |
| α | 78.875 ± 0.005° |
| β | 83.922 ± 0.004° |
| γ | 70.003 ± 0.004° |
| Cell volume | 969.81 ± 0.19 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.0536 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1222 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299261 (current) | 2025-04-11 | cif/ Adding structures of 7160497 via cif-deposit CGI script. |
7160497.cif |
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Users of the data should acknowledge the original authors of the
structural data.