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Information card for entry 1506603
Preview
| Coordinates | 1506603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | [(2S,4R,5S)-5-phenyl-4-(phenylsulfonyl) tetrahydro-2-furanyl]methyl (-)-camphanate |
|---|---|
| Chemical name | [(2S,4R,5S)-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 | [C@@H]1([C@@H](C[C@@H](COC(=O)[C@]23CC[C@@](C(=O)O3)(C2(C)C)C)O1)S(=O)(=O)c1ccccc1)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 | 6.0067 ± 0.0004 Å |
| b | 11.6597 ± 0.001 Å |
| c | 35.632 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2495.5 ± 0.4 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 | 0.1378 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1235 |
| Weighted residual factors for all reflections included in the refinement | 0.1545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
1506603.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. |
1506603.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506603.cif |
| 50434 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506602, 1506603 via cif-deposit CGI script. |
1506603.cif |
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