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Information card for entry 7160548
Preview
| Coordinates | 7160548.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H30 N2 O2 S |
|---|---|
| Calculated formula | C21 H30 N2 O2 S |
| Title of publication | Systematic investigation of structure-property relationship of substituted p-alkoxy-azothiophenes |
| Authors of publication | Averdunk, Conrad; Wegner, Hermann A. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 45.4955 ± 0.0013 Å |
| b | 7.7004 ± 0.0002 Å |
| c | 11.701 ± 0.0003 Å |
| α | 90° |
| β | 91.833 ± 0.001° |
| γ | 90° |
| Cell volume | 4097.16 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299642 (current) | 2025-05-14 | cif/ Adding structures of 7160548, 7160549, 7160550, 7160551 via cif-deposit CGI script. |
7160548.cif |
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Users of the data should acknowledge the original authors of the
structural data.