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Information card for entry 7155958
Preview
| Coordinates | 7155958.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H16 O2 |
|---|---|
| Calculated formula | C20 H16 O2 |
| SMILES | O=C1C(=C\c2ccccc2)\C(C(=C1)C(=O)C)c1ccccc1 |
| Title of publication | Organocatalytic umpolung annulative dimerization of ynones for the synthesis of 5-alkylidene-2-cyclopentenones |
| Authors of publication | Dhevalapally, Ramachary Buchi; T., Prabhakar Reddy; Adaveni, Suresh Kumar |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2017 |
| a | 5.732 ± 0.005 Å |
| b | 9.388 ± 0.005 Å |
| c | 14.303 ± 0.005 Å |
| α | 92.462 ± 0.005° |
| β | 94.667 ± 0.005° |
| γ | 104.905 ± 0.005° |
| Cell volume | 739.7 ± 0.8 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 | 0.1555 |
| Residual factor for significantly intense reflections | 0.0752 |
| Weighted residual factors for significantly intense reflections | 0.1742 |
| Weighted residual factors for all reflections included in the refinement | 0.2168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202946 (current) | 2017-11-08 | cif/ Adding structures of 7155958 via cif-deposit CGI script. |
7155958.cif |
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