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Information card for entry 7249688
Preview
| Coordinates | 7249688.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H34 N4 O2 |
|---|---|
| Calculated formula | C50 H34 N4 O2 |
| Title of publication | Mechanical force-induced thermochromic-to-photochromic conversion of a coupled Schiff base hinged via biphenyl moiety |
| Authors of publication | Omasa, Koichiro; Yoshikawa, Isao; Houjou, Hirohiko |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 17.3879 ± 0.0003 Å |
| b | 7.727 ± 0.0001 Å |
| c | 27.0872 ± 0.0005 Å |
| α | 90° |
| β | 94.9551 ± 0.0016° |
| γ | 90° |
| Cell volume | 3625.73 ± 0.1 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0998 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296851 (current) | 2024-12-12 | cif/ Adding structures of 7249688, 7249689 via cif-deposit CGI script. |
7249688.cif |
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Users of the data should acknowledge the original authors of the
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