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Information card for entry 2019344
Preview
| Coordinates | 2019344.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H35 N4 O11 P S |
|---|---|
| Calculated formula | C23 H35 N4 O11 P S |
| Title of publication | The SP Diastereomer of a Dinucleoside Methylphosphonate Methanol Solvate Containing Thymine and N3-Methyl-4-thiothymine Bases |
| Authors of publication | Szabó, T.; Stawinski, J.; Carlson, S.; Norrestam, R. |
| Journal of publication | Acta Crystallographica Section C Crystal Structure Communications |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 3 |
| Pages of publication | 411 |
| a | 9.217 ± 0.003 Å |
| b | 13.589 ± 0.004 Å |
| c | 11.237 ± 0.003 Å |
| α | 90° |
| β | 92.47 ± 0.02° |
| γ | 90° |
| Cell volume | 1406.1 ± 0.7 Å3 |
| Cell temperature | 173 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.054 |
| Goodness-of-fit parameter for significantly intense reflections | 1.76 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190974 (current) | 2017-01-26 | cif/2/01/93/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entry 2019344. |
2019344.cif |
| 190973 | 2017-01-26 | cif/2/01/93/ (antanas@echidna.ibt.lt) Marking atoms 'CM'' and 'CM''' as belonging to disorder groups '1' and '2' with the occupancies of 0.68 and 0.32 respectively in entry 2019344. |
2019344.cif |
| 190972 | 2017-01-26 | cif/2/01/93/ (antanas@echidna.ibt.lt) Adding the _atom_site_type_symbol data item in entry 2019344. |
2019344.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2019344.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
2019344.cif |
| 99192 | 2014-01-30 | cif/ Adding structures of 2019344 via cif-deposit CGI script. |
2019344.cif |
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