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Information card for entry 7245722
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| Coordinates | 7245722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Terpy_naph |
|---|---|
| Formula | C25 H17 N3 |
| Calculated formula | C25 H17 N3 |
| SMILES | n1c(cc(c2c3c(cccc3)ccc2)cc1c1ncccc1)c1ncccc1 |
| Title of publication | Multi-faceted elastic flexibility of 1-naphthyl and 9-anthryl 2,2’:6’,2’’-terpyridine crystals |
| Authors of publication | Kusumoto, Sotaro; Oishi, Karin; Nakaya, Manabu; Suzuki, Ryo; Tachibana, Masaru; Kim, Yang; Koide, Yoshihiro; Hayami, Shinya |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 11.0002 ± 0.0006 Å |
| b | 9.8052 ± 0.0007 Å |
| c | 34.289 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3698.4 ± 0.4 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1125 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.1603 |
| Weighted residual factors for all reflections included in the refinement | 0.1974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| 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 |
|---|---|---|---|
| 278822 (current) | 2022-10-27 | cif/ Adding structures of 7245722, 7245723 via cif-deposit CGI script. |
7245722.cif |
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