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Information card for entry 1555448
Preview
| Coordinates | 1555448.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2,7-dimethoxy-9H-fluoren-9-one |
|---|---|
| Formula | C15 H12 O3 |
| Calculated formula | C15 H12 O3 |
| SMILES | O=C1c2c(c3ccc(OC)cc13)ccc(OC)c2 |
| Title of publication | Domino Oxidative [Pd]-Catalysis: One-Pot Synthesis of Fluorenones Starting from Simple Benzylamines and Iodo Arenes. |
| Authors of publication | Ravi Kumar, Devarapalli; Satyanarayana, Gedu |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 23 |
| Pages of publication | 5894 - 5897 |
| a | 7.8593 ± 0.001 Å |
| b | 4.0079 ± 0.0005 Å |
| c | 36.679 ± 0.004 Å |
| α | 90° |
| β | 93.567 ± 0.011° |
| γ | 90° |
| Cell volume | 1153.1 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| 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 | 0.1158 |
| Residual factor for significantly intense reflections | 0.0849 |
| Weighted residual factors for significantly intense reflections | 0.2458 |
| Weighted residual factors for all reflections included in the refinement | 0.2543 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.361 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238691 (current) | 2019-11-24 | cif/ Adding structures of 1555448 via cif-deposit CGI script. |
1555448.cif |
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