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Information card for entry 1507091
Preview
| Coordinates | 1507091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C22 H28 O3 |
|---|---|
| Calculated formula | C22 H28 O3 |
| SMILES | O(c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)[C@@]2(O)C=C)C)C |
| Title of publication | New ring-expansion reactions of hydroxy propenoyl cyclic compounds under palladium(0)/phosphine-catalyzed conditions |
| Authors of publication | Nagao, Yoshimitsu; Tanaka, Satoru; Ueki, Akiharu; Kumazawa, Masunori; Goto, Satoru; Ooi, Takashi; Sano, Shigeki; Shiro, Motoo |
| Journal of publication | Organic Letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 13 |
| Pages of publication | 2133 - 2136 |
| a | 7.407 ± 0.001 Å |
| b | 7.833 ± 0.001 Å |
| c | 30.59 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1774.8 ± 0.3 Å3 |
| Cell temperature | 133.2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for all reflections included in the refinement | 0.1155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.337 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275141 (current) | 2022-05-06 | cif/1/50/70/ Replaced the "¥" sequences with backslash symbols ("\") in multiple data values in entries 1507090-1507091. |
1507091.cif |
| 275134 | 2022-05-06 | cif/1/50/70/ Updated bibliographic information in entries 1507090-1507091. |
1507091.cif |
| 201954 | 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. |
1507091.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1507091.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507091.cif |
| 51668 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1507091 via cif-deposit CGI script. |
1507091.cif |
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Users of the data should acknowledge the original authors of the
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