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Information card for entry 7151570
Preview
| Coordinates | 7151570.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C17 H26 N5 O3 P |
|---|---|
| Calculated formula | C17 H26 N5 O3 P |
| SMILES | P(=O)(OCC)(OCC)C(=C=C(Cn1cnc2c(ncnc12)N)C)CCC |
| Title of publication | Synthesis and molecular structure of new acyclic analogues of nucleotides with a 1,2-alkadienic skeleton. |
| Authors of publication | Brel, Valery K.; Belsky, Vitaly K.; Stash, Adam I.; Zavodnik, Valery E.; Stang, Peter J. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2003 |
| Journal volume | 1 |
| Journal issue | 23 |
| Pages of publication | 4220 - 4226 |
| a | 28.047 ± 0.006 Å |
| b | 11.272 ± 0.002 Å |
| c | 13.562 ± 0.003 Å |
| α | 90° |
| β | 103.05 ± 0.03° |
| γ | 90° |
| Cell volume | 4176.8 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.1621 |
| Weighted residual factors for all reflections included in the refinement | 0.1621 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7151570.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7151570.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151570.cif |
| 180301 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/15. |
7151570.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151570.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151570.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/. |
7151570.cif |
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Users of the data should acknowledge the original authors of the
structural data.