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Information card for entry 1504989
Preview
| Coordinates | 1504989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 O2 |
|---|---|
| Calculated formula | C20 H18 O2 |
| SMILES | O=C1c2ccccc2CC[C@@H]1[C@@H]1C(=O)c2ccccc2CC1.O=C1c2ccccc2CC[C@H]1[C@H]1C(=O)c2ccccc2CC1 |
| Title of publication | Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers. |
| Authors of publication | Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J. |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 24 |
| Pages of publication | 5621 - 5624 |
| a | 13.755 ± 0.012 Å |
| b | 6.832 ± 0.003 Å |
| c | 16.505 ± 0.009 Å |
| α | 90° |
| β | 104.58 ± 0.04° |
| γ | 90° |
| Cell volume | 1501.1 ± 1.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0701 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1329 |
| Weighted residual factors for all reflections included in the refinement | 0.1444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| 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. |
1504989.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. |
1504989.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504989.cif |
| 42526 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504989 via cif-deposit CGI script. |
1504989.cif |
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Users of the data should acknowledge the original authors of the
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