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Information card for entry 1554944
Preview
| Coordinates | 1554944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 Cl N O |
|---|---|
| Calculated formula | C24 H24 Cl N O |
| SMILES | Clc1c(O)c(C(=C(c2ccccc2)c2ccccc2)NC(C)(C)C)ccc1 |
| Title of publication | Synthesis of substituted dihydrobenzofurans via tandem S(N)Ar/5-exo-trig cyclization. |
| Authors of publication | Koy, Maximilian; Engle, Keary M.; Henling, Lawrence M.; Takase, Michael K.; Grubbs, Robert H. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 8 |
| Pages of publication | 1986 - 1989 |
| a | 12.0241 ± 0.0005 Å |
| b | 10.8634 ± 0.0004 Å |
| c | 15.0306 ± 0.0006 Å |
| α | 90° |
| β | 92.829 ± 0.002° |
| γ | 90° |
| Cell volume | 1960.94 ± 0.13 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0526 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.1016 |
| Weighted residual factors for all reflections included in the refinement | 0.112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238229 (current) | 2019-11-24 | cif/ Adding structures of 1554944 via cif-deposit CGI script. |
1554944.cif |
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