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Information card for entry 1518843
Preview
| Coordinates | 1518843.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | lm1HF1027B |
|---|---|
| Chemical name | 4aba |
| Formula | C22 H23 N O3 |
| Calculated formula | C22 H23 N O3 |
| SMILES | [C@@H]1(C(=C\N2C(=O)OCC2)/CC[C@@](C)(c2ccccc2)O1)c1ccccc1.[C@H]1(C(=C\N2C(=O)OCC2)/CC[C@](C)(c2ccccc2)O1)c1ccccc1 |
| Title of publication | Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans |
| Authors of publication | Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 2903 |
| a | 6.0325 ± 0.0007 Å |
| b | 20.594 ± 0.002 Å |
| c | 14.3515 ± 0.0015 Å |
| α | 90° |
| β | 97.425 ± 0.005° |
| γ | 90° |
| Cell volume | 1768 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0796 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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. |
1518843.cif |
| 138499 | 2015-06-07 | cif/ Updating files of 1518843, 1518844, 1518845 Original log message: Adding full bibliography for 1518843--1518845.cif. |
1518843.cif |
| 133877 | 2015-03-13 | cif/ Adding structures of 1518843, 1518844, 1518845 via cif-deposit CGI script. |
1518843.cif |
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Users of the data should acknowledge the original authors of the
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