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Information card for entry 7160583
Preview
| Coordinates | 7160583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H14 O2 |
|---|---|
| Calculated formula | C21 H14 O2 |
| Title of publication | Microwave-Assisted One-Pot Synthesis of Dibenzo[b,d]oxepines via Domino C-C Coupling and Cyclo-condensation Pathway |
| Authors of publication | Waghmare , Pradip S; Gedu, Satyanarayana |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 11.0954 ± 0.0007 Å |
| b | 15.8197 ± 0.0009 Å |
| c | 17.3494 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3045.3 ± 0.3 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0898 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.1111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299990 (current) | 2025-06-06 | cif/ Adding structures of 7160583 via cif-deposit CGI script. |
7160583.cif |
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Users of the data should acknowledge the original authors of the
structural data.