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Information card for entry 1570718
Preview
| Coordinates | 1570718.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H18 N O P |
|---|---|
| Calculated formula | C26 H18 N O P |
| SMILES | P1(=O)(c2ccccc2c2n(c3c(c12)cccc3)c1ccccc1)c1ccccc1 |
| Title of publication | The Synthesis and Properties of Ladder-Type π-Conjugated Compounds with Pyrrole and Phosphole Rings |
| Authors of publication | Truong, Minh Anh; Morishita, Suzuho; Noguchi, Keiichi; Nakano, Koji |
| Journal of publication | Molecules |
| Year of publication | 2023 |
| Journal volume | 29 |
| Journal issue | 1 |
| Pages of publication | 38 |
| a | 9.0262 ± 0.0002 Å |
| b | 10.954 ± 0.0002 Å |
| c | 20.2813 ± 0.0004 Å |
| α | 90° |
| β | 100.093 ± 0.001° |
| γ | 90° |
| Cell volume | 1974.24 ± 0.07 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288929 (current) | 2024-01-07 | cif/ Adding structures of 1570718 via cif-deposit CGI script. |
1570718.cif |
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Users of the data should acknowledge the original authors of the
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