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Information card for entry 7203956
Preview
| Coordinates | 7203956.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H19 O P Se |
|---|---|
| Calculated formula | C20 H19 O P Se |
| Title of publication | Reactions of selenothioic acid S-esters with trivalent phosphorus compounds: new synthetic methods for α-phosphoryl alkyl sulfides and alkyl selenides |
| Authors of publication | Murai, Toshiaki; Izumi, Chiyoko; Itoh, Toshihide; Kato, Shinzi |
| Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
| Year of publication | 2000 |
| Journal issue | 6 |
| Pages of publication | 917 |
| a | 9.404 ± 0.003 Å |
| b | 16.703 ± 0.004 Å |
| c | 5.777 ± 0.001 Å |
| α | 96.67 ± 0.02° |
| β | 107.37 ± 0.02° |
| γ | 83.96 ± 0.02° |
| Cell volume | 857.8 ± 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 | 0.0344 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0363 |
| Weighted residual factors for all reflections included in the refinement | 0.0363 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.456 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7203956.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7203956.cif |
| 134283 | 2015-03-24 | cif/ (antanas@echidna.ibt.lt) Replaced '_reflns_observed_expression', '_atom_type_scat_imag' and '_atom_site_calc_flags' tags with their correct tag counterparts ('_reflns_threshold_expression', '_atom_type_scat_dispersion_imag', '_atom_site_calc_flag'). The following command was used on the CIFs containing the tags: xargs -n1 -I{} sh -c 'cif_correct_tags --r cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst {} | cif_filter -h {} | sponge {}' A total of 124 files were changed. |
7203956.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7203956.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203956.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7203956.cif |
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Users of the data should acknowledge the original authors of the
structural data.