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Information card for entry 7101589
Preview
| Coordinates | 7101589.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C35 H39 Cl3 O8 |
|---|---|
| Calculated formula | C35 H39 Cl3 O8 |
| SMILES | [C@H]1([C@@H](CCc2c3ccccc3ccc12)OC(=O)[C@]12OC(=O)[C@@](CC1)(C)C2(C)C)OC(=O)[C@]12OC(=O)[C@@](CC1)(C)C2(C)C.C(Cl)(Cl)Cl |
| Title of publication | Dioxygenase-catalysed dihydroxylation of arene cis-dihydrodiols and acetonide derivatives: a new approach to the synthesis of enantiopure tetraoxygenated bioproducts from arenes |
| Authors of publication | Boyd, Derek R.; Sharma, Narain D.; Belhocine, Tayeb; Malone, John F.; McGregor, Stuart; Allen, Christopher C. R. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2006 |
| Journal issue | 47 |
| Pages of publication | 4934 - 4936 |
| a | 11.634 ± 0.002 Å |
| b | 12.065 ± 0.002 Å |
| c | 50.23 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7050 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0995 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.177 |
| Weighted residual factors for all reflections included in the refinement | 0.1982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208973 (current) | 2018-07-11 | cif/7/10/ Updating bibliography in entries 7101110, 7101111, 7101124, 7101128, 7101175, 7101252, 7101253, 7101279, 7101280, 7101298, 7101454, 7101455, 7101505, 7101589, 7102643, 7103768, 7103769, 7103770, 7103771, 7103772, 7104075, 7104076, 7105630. |
7101589.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7101589.cif |
| 180117 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/15. |
7101589.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
7101589.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7101589.cif |
| 91955 | 2013-12-31 | cod/ (saulius@koala.ibt.lt) Removing '_journal_page_first ?' data items from a bunch of COD CIFs so that the quastion mark does not appear in the COD SQL tables as a page number. |
7101589.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7101589.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. |
7101589.cif |
| 271 | 2008-03-15 | Adding CIF files from the Chem-Comm-2006-20_48/ deposion. |
7101589.cif |
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