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Information card for entry 1504091
Preview
| Coordinates | 1504091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | oxetane |
|---|---|
| Chemical name | 4,7-diphenyl-3-oxatricyclo[4.2.2.0(4,8)]decane |
| Formula | C21 H20 O |
| Calculated formula | C21 H20 O |
| SMILES | O1[C@]2([C@@H]3[C@@H](c4ccccc4)[C@@H]4[C@H]2[C@H]1[C@H]3CC4)c1ccccc1.O1[C@@]2([C@H]3[C@H](c4ccccc4)[C@H]4[C@@H]2[C@@H]1[C@@H]3CC4)c1ccccc1 |
| Title of publication | Harvesting the strain installed by a Paternò-Büchi step in a synthetically useful way: high-yielding photoprotolytic oxametathesis in polycyclic systems. |
| Authors of publication | Valiulin, Roman A.; Kutateladze, Andrei G. |
| Journal of publication | Organic letters |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 17 |
| Pages of publication | 3886 - 3889 |
| a | 21.2315 ± 0.0008 Å |
| b | 6.5111 ± 0.0002 Å |
| c | 10.7839 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1490.77 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1436 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1322 |
| Weighted residual factors for all reflections included in the refinement | 0.1663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.478 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1504091.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504091.cif |
| 39360 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1504091 via cif-deposit CGI script. |
1504091.cif |
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