Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227283
Preview
| Coordinates | 2227283.cif |
|---|---|
| Structure factors | 2227283.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | 2,3;5,6-Di-<i>O</i>-isopropylidene-1-<i>O</i>-(2-phenylacetyl)- α-<i>D</i>-mannofuranose |
|---|---|
| Formula | C20 H26 O7 |
| Calculated formula | C20 H26 O7 |
| SMILES | O1[C@H]([C@@H]2OC(OC2)(C)C)[C@@H]2OC(O[C@@H]2[C@H]1OC(=O)Cc1ccccc1)(C)C |
| Title of publication | 2,3;5,6-Di-<i>O</i>-isopropylidene-1-<i>O</i>-(2-phenylacetyl)-α-<small>D</small>-mannofuranose |
| Authors of publication | Sacui, Iulia A.; Norris, Peter; Zeller, Matthias |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | o2341 |
| a | 5.6174 ± 0.0003 Å |
| b | 13.0946 ± 0.0008 Å |
| c | 25.2021 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1853.81 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1171 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.331 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2227283.cif 2227283.hkl |
| 201978 | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2227283.cif 2227283.hkl |
| 181193 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/72. |
2227283.cif 2227283.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227283.cif 2227283.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227283.cif 2227283.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2227283.cif 2227283.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227283.cif 2227283.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227283.cif 2227283.hkl |
| 4320 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227283 via cif-deposit CGI script. |
2227283.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.