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Information card for entry 4517283
Preview
| Coordinates | 4517283.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H10 N4 |
|---|---|
| Calculated formula | C15 H10 N4 |
| SMILES | c1cccc2cccc(c12)/C=N/C(=C(C#N)\N)C#N |
| Title of publication | Modulation of Weak Interactions in Structural Isomers: Positional Isomeric Effects on Crystal Packing and Physical Properties and Solid-State Thin-Film Fabrication |
| Authors of publication | Monika,; Verma, Abhineet; Tiwari, Manish Kumar; Show, Bibhutibhushan; Saha, Satyen |
| Journal of publication | ACS Omega |
| Year of publication | 2019 |
| a | 7.165 ± 0.002 Å |
| b | 43.924 ± 0.009 Å |
| c | 8.416 ± 0.002 Å |
| α | 90° |
| β | 106.87 ± 0.03° |
| γ | 90° |
| Cell volume | 2534.7 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.2067 |
| Residual factor for significantly intense reflections | 0.1056 |
| Weighted residual factors for significantly intense reflections | 0.1409 |
| Weighted residual factors for all reflections included in the refinement | 0.1692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246309 (current) | 2019-12-31 | cif/ Adding structures of 4517283 via cif-deposit CGI script. |
4517283.cif |
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