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Information card for entry 7064456
Preview
| Coordinates | 7064456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | E25LT |
|---|---|
| Formula | C14 H9 N3 O2 |
| Calculated formula | C14 H9 N3 O2 |
| Title of publication | Mechanical Behaviour Modulation through Substituent Reversal in Schiff Base Molecular Crystals |
| Authors of publication | Dogra, Sunanda; Harsha, Priyasha; Roy Choudhury, Angshuman |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| a | 3.7943 ± 0.0006 Å |
| b | 22.906 ± 0.003 Å |
| c | 13.931 ± 0.002 Å |
| α | 90° |
| β | 96.973 ± 0.015° |
| γ | 90° |
| Cell volume | 1201.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.01 K |
| Ambient diffraction temperature | 100 ± 0.01 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0886 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1429 |
| Weighted residual factors for all reflections included in the refinement | 0.1666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306667 (current) | 2026-06-27 | cif/ Adding structures of 7064455, 7064456 via cif-deposit CGI script. |
7064456.cif |
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