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Information card for entry 4515774
Preview
| Coordinates | 4515774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H20 O2 |
|---|---|
| Calculated formula | C26 H20 O2 |
| SMILES | O=C(OCC)/C=C1\C=CC2(c3ccccc13)c1ccccc1c1ccccc21 |
| Title of publication | Palladium-Catalyzed Aryne Insertion/Arene Dearomatization Domino Reaction: A Highly Chemoselective Route to Spirofluorenes |
| Authors of publication | Zuo, Zhijun; Wang, Hui; Diao, Yunxia; Ge, Yicong; Liu, Jingjing; Luan, Xinjun |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 12 |
| Pages of publication | 11029 |
| a | 12.157 ± 0.003 Å |
| b | 12.525 ± 0.002 Å |
| c | 12.945 ± 0.003 Å |
| α | 90° |
| β | 91.141 ± 0.005° |
| γ | 90° |
| Cell volume | 1970.7 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1588 |
| Residual factor for significantly intense reflections | 0.0614 |
| Weighted residual factors for significantly intense reflections | 0.1272 |
| Weighted residual factors for all reflections included in the refinement | 0.1691 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225899 (current) | 2019-11-10 | cif/ Adding structures of 4515774 via cif-deposit CGI script. |
4515774.cif |
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Users of the data should acknowledge the original authors of the
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