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Information card for entry 4024483
Preview
| Coordinates | 4024483.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C15 H23 N O8 |
|---|---|
| Calculated formula | C15 H23 N O8 |
| SMILES | [C@H]1([C@@H]2C[C@H]([C@H](C[C@H]([C@@H](C1OC(=O)C)OC(=O)C)N2)O)O)OC(=O)C |
| Title of publication | Stereodivergent Access to Polyhydroxylated 10-Azabicyclo[4.3.1]decanes as New Calystegine Analogues |
| Authors of publication | Vincent Chagnault; Philippe Compain; Krzysztof Lewinski; Kyoko Ikeda; Naoki Asano; Olivier R. Martin |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 3179 - 3182 |
| a | 7.104 ± 0.0003 Å |
| b | 10.693 ± 0.0005 Å |
| c | 11.443 ± 0.0004 Å |
| α | 88.492 ± 0.002° |
| β | 78.42 ± 0.003° |
| γ | 76.727 ± 0.002° |
| Cell volume | 828.63 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0719 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4024483.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4024483.cif |
| 178423 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/44. |
4024483.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024483.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024483.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024483.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024483.cif |
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