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Information card for entry 4072098
Preview
| Coordinates | 4072098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H19 O5 P |
|---|---|
| Calculated formula | C18 H19 O5 P |
| SMILES | P1(C=C(C(=C1)C)C)(c1ccccc1)=C(C(=O)OC)C(=O)C(=O)OC |
| Title of publication | Reinvestigation of the Reactions of 1-Phenyl-3,4-dimethylphosphole with Dimethyl Acetylenedicarboxylate |
| Authors of publication | Duan, Zheng; Zhang, Jianzhen; Tian, Rongqiang; Bai, Liuying; Mathey, Francois |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 5169 |
| a | 19.555 ± 0.004 Å |
| b | 12.571 ± 0.003 Å |
| c | 7.3292 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1801.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0433 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178089 (current) | 2016-03-10 | cif/4 Fixing Z values and formulae |
4072098.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4072098.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072098.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072098.cif |
| 44235 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072098 via cif-deposit CGI script. |
4072098.cif |
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Users of the data should acknowledge the original authors of the
structural data.