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Information card for entry 1540602
Preview
| Coordinates | 1540602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H12 O2 |
|---|---|
| Calculated formula | C13 H12 O2 |
| SMILES | O=C1OC(=C\c2ccccc2C)/C(=C1)C |
| Title of publication | SilverCatalyzed Cascade Carboxylation and Cyclization of Trimethyl(2-methylenebut-3-yn-1-yl)silane Derivatives. |
| Authors of publication | Sekine, Kohei; Sadamitsu, Yuta; Yamada, Tohru |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 22 |
| Pages of publication | 5706 - 5709 |
| a | 8.1069 ± 0.0011 Å |
| b | 8.3799 ± 0.0011 Å |
| c | 8.9188 ± 0.0011 Å |
| α | 102.823 ± 0.004° |
| β | 100.864 ± 0.004° |
| γ | 113.21 ± 0.004° |
| Cell volume | 516.59 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0535 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1202 |
| Weighted residual factors for all reflections included in the refinement | 0.1439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | (MoKα) |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170752 (current) | 2015-12-06 | cif/ Adding structures of 1540602 via cif-deposit CGI script. |
1540602.cif |
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Users of the data should acknowledge the original authors of the
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