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Information card for entry 4026310
Preview
| Coordinates | 4026310.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H44 O22 |
|---|---|
| Calculated formula | C29 H44 O22 |
| Title of publication | Synthesis of Oligomeric 4-(Glycosyloxy)benzoate Macrocyclic Glycosides |
| Authors of publication | Yali Li; Jiansong Sun; Yanqing Gong; Biao Yu |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2011 |
| Journal volume | 76 |
| Pages of publication | 3654 - 3663 |
| a | 7.7506 ± 0.001 Å |
| b | 14.8393 ± 0.0019 Å |
| c | 14.9278 ± 0.0019 Å |
| α | 90° |
| β | 92.947 ± 0.002° |
| γ | 90° |
| Cell volume | 1714.6 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0648 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.1364 |
| 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 |
|---|---|---|---|
| 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. |
4026310.cif |
| 178442 | 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 4/02/63. |
4026310.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4026310.cif |
| 38662 | 2012-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 4026310 via cif-deposit CGI script. |
4026310.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.