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Information card for entry 7246487
Preview
| Coordinates | 7246487.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole |
|---|---|
| Formula | C41 H30 N4 O2 S |
| Calculated formula | C41 H30 N4 O2 S |
| Title of publication | Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence |
| Authors of publication | Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 16 |
| Pages of publication | 2379 - 2389 |
| a | 27.8666 ± 0.0004 Å |
| b | 10.4156 ± 0.0001 Å |
| c | 23.2099 ± 0.0004 Å |
| α | 90° |
| β | 108.11 ± 0.002° |
| γ | 90° |
| Cell volume | 6402.89 ± 0.17 Å3 |
| Cell temperature | 223.15 K |
| Ambient diffraction temperature | 223.15 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 | 0.057 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1488 |
| Weighted residual factors for all reflections included in the refinement | 0.1521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283206 (current) | 2023-05-05 | cif/ Updating files of 7246486, 7246487, 7246488, 7246489, 7246490, 7246491 Original log message: Adding full bibliography for 7246486--7246491.cif. |
7246487.cif |
| 281967 | 2023-03-22 | cif/ Adding structures of 7246486, 7246487, 7246488, 7246489, 7246490, 7246491 via cif-deposit CGI script. |
7246487.cif |
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Users of the data should acknowledge the original authors of the
structural data.