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Information card for entry 1507093
Preview
| Coordinates | 1507093.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | Glyco-amino-acid |
|---|---|
| Formula | C49 H62 N2 O14 |
| Calculated formula | C49 H62 N2 O14 |
| SMILES | O1[C@H](OC)[C@H]([C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C)[C@H](NC(=O)N[C@@H]([C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](O[C@@H]1OC)C)C(=O)OC)C(=O)OC.O |
| Title of publication | Efficient methodology for the synthesis of 2-C-branched glyco-amino acids by ring opening of 1,2-cyclopropanecarboxylated sugars. |
| Authors of publication | Sridhar, Perali Ramu; Ashalu, K. Chinna; Chandrasekaran, S. |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 11 |
| Pages of publication | 1777 - 1779 |
| a | 7.202 ± 0.004 Å |
| b | 19.885 ± 0.01 Å |
| c | 17.54 ± 0.009 Å |
| α | 90° |
| β | 93.671 ± 0.01° |
| γ | 90° |
| Cell volume | 2507 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 all reflections | 0.0873 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1089 |
| Weighted residual factors for all reflections included in the refinement | 0.1273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507093.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507093.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. |
1507093.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507093.cif |
| 51670 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1507093 via cif-deposit CGI script. |
1507093.cif |
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Users of the data should acknowledge the original authors of the
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