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Information card for entry 1551011
Preview
| Coordinates | 1551011.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H20 O2 |
|---|---|
| Calculated formula | C28 H20 O2 |
| SMILES | O=C(OC)c1ccccc1C12c3ccccc3C(c3c1cccc3)c1ccccc21 |
| Title of publication | Organocopper Cross-coupling Reaction for C‒C Bond Formation on Highly Sterically Hindered Structures |
| Authors of publication | Oi, Miku; TAKITA, Ryo; Kanazawa, Junichiro; Muranaka, Atsuya; Wang, Chao; Uchiyama, Masanobu |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 9.3566 ± 0.0006 Å |
| b | 9.3566 ± 0.0006 Å |
| c | 19.436 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1473.6 ± 0.2 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 3 |
| Space group number | 144 |
| Hermann-Mauguin space group symbol | P 31 |
| Hall space group symbol | P 31 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215035 (current) | 2019-05-11 | cif/ Adding structures of 1551011 via cif-deposit CGI script. |
1551011.cif |
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Users of the data should acknowledge the original authors of the
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