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Information card for entry 7251101
Preview
| Coordinates | 7251101.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H18 N4 S2 |
|---|---|
| Calculated formula | C31 H18 N4 S2 |
| Title of publication | Reprecipitation-driven access to solvates and solvent-free crystals: achieving two-solvent-mediated vapochromic luminescence |
| Authors of publication | Ogawa, Kota; Sumida, Ayaka; Kubota, Rikuto; Tachikawa, Takashi; Ito, Suguru |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 11.7158 ± 0.0001 Å |
| b | 5.8667 ± 0.0001 Å |
| c | 17.82 ± 0.0002 Å |
| α | 90° |
| β | 106.345 ± 0.001° |
| γ | 90° |
| Cell volume | 1175.32 ± 0.03 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123.15 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303002 (current) | 2025-10-24 | cif/ Adding structures of 7251100, 7251101 via cif-deposit CGI script. |
7251101.cif |
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Users of the data should acknowledge the original authors of the
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