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Information card for entry 4333339
Preview
| Coordinates | 4333339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H70 Cl2 O9 P2 |
|---|---|
| Calculated formula | C40 H70 Cl2 O9 P2 |
| Title of publication | Interaction of tertiary phosphines with lignin-type, alpha,beta-unsaturated aldehydes in water. |
| Authors of publication | Moiseev, Dmitry V.; Patrick, Brian O.; James, Brian R.; Hu, Thomas Q. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 22 |
| Pages of publication | 9389 - 9399 |
| a | 10.81 ± 0.002 Å |
| b | 14.866 ± 0.002 Å |
| c | 15.253 ± 0.003 Å |
| α | 104.99 ± 0.01° |
| β | 100.25 ± 0.01° |
| γ | 95.15 ± 0.01° |
| Cell volume | 2306.1 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1263 |
| Residual factor for significantly intense reflections | 0.0852 |
| Weighted residual factors for significantly intense reflections | 0.2086 |
| Weighted residual factors for all reflections included in the refinement | 0.2298 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4333339.cif |
| 179436 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/33. |
4333339.cif |
| 116728 | 2014-06-13 | cif/ Updating files of 4333339, 4333340 Original log message: Adding full bibliography for 4333339--4333340.cif. |
4333339.cif |
| 98940 | 2014-01-30 | cif/ Adding structures of 4333339 via cif-deposit CGI script. |
4333339.cif |
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Users of the data should acknowledge the original authors of the
structural data.