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Information card for entry 1503653
Preview
| Coordinates | 1503653.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H26 F2 N6 O5 |
|---|---|
| Calculated formula | C26 H26 F2 N6 O5 |
| SMILES | Fc1ccc([C@H]2Nc3nc([nH]c(=O)c3[C@H](C32C(=O)N(C(=O)N(C3=O)C)C)c2ccc(F)cc2)N)cc1.OCC.Fc1ccc([C@@H]2Nc3nc([nH]c(=O)c3[C@@H](C32C(=O)N(C(=O)N(C3=O)C)C)c2ccc(F)cc2)N)cc1.OCC |
| Title of publication | Highly Diastereoselective Domino Synthesis of 6-Spirosubstituted Pyrido[2,3-d]pyrimidine Derivatives in Water |
| Authors of publication | Jiang, Bo; Cao, Long-Ji; Tu, Shu-Jiang; Zheng, Wen-Rui; Yu, Hai-Zhu |
| Journal of publication | Journal of Combinatorial Chemistry |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 612 |
| a | 9.2189 ± 0.0015 Å |
| b | 12.5924 ± 0.0017 Å |
| c | 14.1 ± 0.002 Å |
| α | 64.634 ± 0.002° |
| β | 81.467 ± 0.003° |
| γ | 69.027 ± 0.002° |
| Cell volume | 1381 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1526 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.1072 |
| Weighted residual factors for all reflections included in the refinement | 0.1198 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
1503653.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503653.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503653.cif |
| 38841 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503653 via cif-deposit CGI script. |
1503653.cif |
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Users of the data should acknowledge the original authors of the
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