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Information card for entry 7221768
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| Coordinates | 7221768.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (E)-5,6-dimethoxy-3-propylidene-2,3-dihydro-1H-inden-1-one |
|---|---|
| Formula | C14 H16 O3 |
| Calculated formula | C14 H16 O3 |
| SMILES | O=C1c2cc(OC)c(OC)cc2C(=C\CC)\C1 |
| Title of publication | Superacid Mediated Intramolecular Condensation: Facile Synthesis of Indenones and Indanones |
| Authors of publication | Gedu, Satyanarayana; Bokka, Venkat Ramulu |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 9.4655 ± 0.0006 Å |
| b | 15.5172 ± 0.0009 Å |
| c | 8.5918 ± 0.0007 Å |
| α | 90° |
| β | 103.799 ± 0.008° |
| γ | 90° |
| Cell volume | 1225.53 ± 0.15 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0689 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1498 |
| Weighted residual factors for all reflections included in the refinement | 0.1759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 153354 (current) | 2015-08-12 | cif/ Adding structures of 7221768 via cif-deposit CGI script. |
7221768.cif |
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Users of the data should acknowledge the original authors of the
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