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Information card for entry 4031912
Preview
| Coordinates | 4031912.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H28 O6 |
|---|---|
| Calculated formula | C27 H28 O6 |
| SMILES | CCOC(=O)C(C1c2cc(c(cc2c2cc3c(c(c12)C)cccc3)OC)OC)C(=O)OCC |
| Title of publication | Iron-Catalyzed Tandem Conia-Ene/Friedel-Crafts Reactions of o-Alkynyldihydrochalcones: Access to Benzo[b]fluorenes. |
| Authors of publication | Akbar, Sikkandarkani; Srinivasan, Kannupal |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 3 |
| Pages of publication | 1229 - 1236 |
| a | 8.9759 ± 0.0002 Å |
| b | 9.7135 ± 0.0002 Å |
| c | 14.17 ± 0.0003 Å |
| α | 98.454 ± 0.001° |
| β | 105.814 ± 0.001° |
| γ | 91.27 ± 0.001° |
| Cell volume | 1173.25 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0725 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1138 |
| Weighted residual factors for all reflections included in the refinement | 0.1327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177249 (current) | 2016-03-04 | cif/ Adding structures of 4031912 via cif-deposit CGI script. |
4031912.cif |
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Users of the data should acknowledge the original authors of the
structural data.