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Information card for entry 1570717
Preview
| Coordinates | 1570717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H22 N O2 P |
|---|---|
| Calculated formula | C30 H22 N O2 P |
| SMILES | P1(=O)(c2cc3c4c(n(c3cc2c2c1cccc2)c1ccccc1)cccc4)c1ccccc1.O |
| 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 | 36.7954 ± 0.0007 Å |
| b | 6.4842 ± 0.00012 Å |
| c | 19.5726 ± 0.0004 Å |
| α | 90° |
| β | 102.487 ± 0.0008° |
| γ | 90° |
| Cell volume | 4559.34 ± 0.15 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 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 | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1424 |
| Weighted residual factors for all reflections included in the refinement | 0.1482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288928 (current) | 2024-01-07 | cif/ Adding structures of 1570717 via cif-deposit CGI script. |
1570717.cif |
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Users of the data should acknowledge the original authors of the
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