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Information card for entry 4342232
Preview
| Coordinates | 4342232.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H16 N O P |
|---|---|
| Calculated formula | C21 H16 N O P |
| SMILES | P(c1cc2[nH]c(=O)ccc2cc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Design, Synthesis, and Characterization of Hybrid Metal-Ligand Hydrogen-Bonded (MLHB) Supramolecular Architectures. |
| Authors of publication | Sommer, Samantha K.; Zakharov, Lev N.; Pluth, Michael D. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 1912 - 1918 |
| a | 8.866 ± 0.002 Å |
| b | 9.85 ± 0.003 Å |
| c | 10.991 ± 0.003 Å |
| α | 115.602 ± 0.004° |
| β | 96.827 ± 0.004° |
| γ | 93.94 ± 0.004° |
| Cell volume | 851.7 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0677 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1463 |
| Weighted residual factors for all reflections included in the refinement | 0.148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4342232.cif |
| 179525 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/22. |
4342232.cif |
| 132810 | 2015-03-04 | cif/ Updating files of 4342231, 4342232, 4342233 Original log message: Adding full bibliography for 4342231--4342233.cif. |
4342232.cif |
| 130438 | 2015-02-04 | cif/ Adding structures of 4342232 via cif-deposit CGI script. |
4342232.cif |
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Users of the data should acknowledge the original authors of the
structural data.