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Information card for entry 1511975
Preview
| Coordinates | 1511975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 O |
|---|---|
| Calculated formula | C20 H22 O |
| SMILES | O=C(c1ccc2ccccc2c1)/C(=C/C1CCCCC1)C |
| Title of publication | Palladium-Catalyzed Formal Hydroacylation of Allenes Employing Acid Chlorides and Hydrosilanes |
| Authors of publication | Fujihara, Tetsuaki; Tatsumi, Kenta; Terao, Jun; Tsuji, Yasushi |
| Journal of publication | Organic Letters |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 9 |
| Pages of publication | 2286 |
| a | 7.6708 ± 0.0009 Å |
| b | 8.4422 ± 0.0011 Å |
| c | 12.7475 ± 0.0014 Å |
| α | 90° |
| β | 105.477 ± 0.006° |
| γ | 90° |
| Cell volume | 795.57 ± 0.17 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for all reflections included in the refinement | 0.1426 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.7107 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. |
1511975.cif |
| 85856 | 2013-05-07 | cif/ Adding structures of 1511975 via cif-deposit CGI script. |
1511975.cif |
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Users of the data should acknowledge the original authors of the
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