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Information card for entry 4028924
Preview
| Coordinates | 4028924.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H31 Cl O7 P2 |
|---|---|
| Calculated formula | C41 H31 Cl O7 P2 |
| SMILES | Cl(=O)(=O)(=O)[O-].P(=C1C(=O)OC(=O)C(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis and Characterization of a Novel Dialdehyde and Cyclic Anhydride |
| Authors of publication | Wu, Liqiong; Feng, Li; Zhang, Hong; Liu, Qixuan; He, Xumin; Yang, Fangzu; Xia, Haiping |
| Journal of publication | The Journal of Organic Chemistry |
| Year of publication | 2008 |
| Journal volume | 73 |
| Journal issue | 7 |
| Pages of publication | 2883 - 2885 |
| a | 16.8145 ± 0.0005 Å |
| b | 12.2319 ± 0.0004 Å |
| c | 17.1881 ± 0.0005 Å |
| α | 90° |
| β | 95.017 ± 0.003° |
| γ | 90° |
| Cell volume | 3521.59 ± 0.19 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0951 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0573 |
| Weighted residual factors for all reflections included in the refinement | 0.0649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4028924.cif |
| 178468 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/89. |
4028924.cif |
| 99135 | 2014-01-30 | cif/ Adding structures of 4028924 via cif-deposit CGI script. |
4028924.cif |
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Users of the data should acknowledge the original authors of the
structural data.