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Information card for entry 7249627
Preview
| Coordinates | 7249627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H28 N4 O2 S |
|---|---|
| Calculated formula | C27 H28 N4 O2 S |
| Title of publication | Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates |
| Authors of publication | Nath, Jitendra; Baruah, Jubaraj B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| a | 15.043 ± 0.003 Å |
| b | 7.2223 ± 0.0013 Å |
| c | 23.229 ± 0.004 Å |
| α | 90° |
| β | 100.863 ± 0.005° |
| γ | 90° |
| Cell volume | 2478.5 ± 0.8 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.126 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1601 |
| Weighted residual factors for all reflections included in the refinement | 0.1944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296051 (current) | 2024-11-22 | cif/ Adding structures of 7249627, 7249628, 7249629, 7249630, 7249631, 7249632, 7249633, 7249634, 7249635 via cif-deposit CGI script. |
7249627.cif |
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Users of the data should acknowledge the original authors of the
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