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Information card for entry 4131921
Preview
| Coordinates | 4131921.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H19 N2 P |
|---|---|
| Calculated formula | C27 H19 N2 P |
| SMILES | p1(c(cc(cc1C#N)/C=C/c1ccccc1)C#N)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore. |
| Authors of publication | Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 6 |
| Pages of publication | 2046 - 2049 |
| a | 15.317 ± 0.006 Å |
| b | 8.924 ± 0.003 Å |
| c | 16.982 ± 0.006 Å |
| α | 90° |
| β | 111.376 ± 0.006° |
| γ | 90° |
| Cell volume | 2161.6 ± 1.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for significantly intense reflections | 0.0657 |
| Weighted residual factors for all reflections included in the refinement | 0.1343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242006 (current) | 2019-11-25 | cif/ Adding structures of 4131921 via cif-deposit CGI script. |
4131921.cif |
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Users of the data should acknowledge the original authors of the
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