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Information card for entry 1542998
Preview
| Coordinates | 1542998.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H19 N O5 |
|---|---|
| Calculated formula | C22 H19 N O5 |
| SMILES | O(c1c(OC)cc(c(c1)C(=O)c1ccccc1)Cc1ccc(cc1)N(=O)=O)C |
| Title of publication | Synthesis of 2-Benzylphenyl Ketones by Aryne Insertion into Unactivated C-C Bonds. |
| Authors of publication | Rao, Bin; Tang, Jinghua; Zeng, Xiaoming |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 7 |
| Pages of publication | 1678 - 1681 |
| a | 9.534 ± 0.008 Å |
| b | 12.529 ± 0.011 Å |
| c | 17.309 ± 0.015 Å |
| α | 85.64 ± 0.012° |
| β | 85.998 ± 0.011° |
| γ | 68.912 ± 0.011° |
| Cell volume | 1922 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0962 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1434 |
| Weighted residual factors for all reflections included in the refinement | 0.1629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181388 (current) | 2016-04-04 | cif/ Adding structures of 1542998 via cif-deposit CGI script. |
1542998.cif |
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