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Information card for entry 1506602
Preview
| Coordinates | 1506602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | [(2S,4S,5R)-5-phenyl-4-(phenylsulfonyl) tetrahydro-2-furanyl]methyl (-)-camphanate |
|---|---|
| Chemical name | [(2S,4S,5R)-5-phenyl-4-(phenylsulfonyl)tetrahydro-2-furanyl] methyl(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo [2.2.1]heptane-1-carboxylate |
| Formula | C27 H30 O7 S |
| Calculated formula | C27 H30 O7 S |
| SMILES | S(=O)(=O)([C@@H]1[C@@H](c2ccccc2)O[C@@H](C1)COC(=O)[C@]12CC[C@@](C(=O)O2)(C1(C)C)C)c1ccccc1 |
| Title of publication | Diastereoselective synthesis of tetrahydrofurans via reaction of gamma,delta-epoxycarbanions with aldehydes. |
| Authors of publication | Makosza, Mieczysław; Barbasiewicz, Michał; Krajewski, Dariusz |
| Journal of publication | Organic letters |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 14 |
| Pages of publication | 2945 - 2948 |
| a | 6.4186 ± 0.001 Å |
| b | 11.8863 ± 0.0013 Å |
| c | 31.835 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2428.8 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.052 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.0718 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1506602.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. |
1506602.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
1506602.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506602.cif |
| 50434 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506602, 1506603 via cif-deposit CGI script. |
1506602.cif |
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Users of the data should acknowledge the original authors of the
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