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Information card for entry 1502569
Preview
| Coordinates | 1502569.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H18.667 N2 O7.333 |
|---|---|
| Calculated formula | C12 H18.6667 N2 O7.33333 |
| SMILES | O1[C@@H](N2C(=O)NC(=O)C(=C2)C)[C@@H]2OC[C@]1([C@@H](O)C2)CO.O.O |
| Title of publication | Design, Synthesis, and Properties of Boat-Shaped Glucopyranosyl Nucleic Acid |
| Authors of publication | Mori, Kazuto; Kodama, Tetsuya; Obika, Satoshi |
| Journal of publication | Organic Letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 22 |
| Pages of publication | 6050 - 6053 |
| a | 14.0044 ± 0.0003 Å |
| b | 8.34399 ± 0.00015 Å |
| c | 18.0791 ± 0.0004 Å |
| α | 90° |
| β | 102.479 ± 0.0007° |
| γ | 90° |
| Cell volume | 2062.68 ± 0.07 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| 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 | 0.0476 |
| Weighted residual factors for all reflections included in the refinement | 0.0723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210342 (current) | 2018-09-02 | cif/1/ Updating bibliography in entries 1502569, 1516221. Marking entry 1516221 as a duplicate of entry 1502569. |
1502569.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. |
1502569.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502569.cif |
| 86277 | 2013-05-20 | smi/1 Adding SMILES of different N-containing compounds in subdir 1 |
1502569.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502569.cif |
| 35858 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502569 via cif-deposit CGI script. |
1502569.cif |
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Users of the data should acknowledge the original authors of the
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