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Information card for entry 7130039
Preview
| Coordinates | 7130039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H35 N3 O4 S |
|---|---|
| Calculated formula | C35 H35 N3 O4 S |
| SMILES | S(=O)(=O)(Nc1c(c2c3ccccc3ccc2c2ocnc2C(=O)N2CCCC2)c(cc(c1)C)C)c1c(cc(cc1C)C)C |
| Title of publication | Cooperative catalysis-enabled C-N bond cleavage of biaryl lactams with activated isocyanides |
| Authors of publication | Wang, Wen-Tao; Zhang, Sen; Tao, Ling-Fei; Pan, Zi-Qi; Qian, Linghui; Liao, Jia-Yu |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 9.723 ± 0.005 Å |
| b | 17.085 ± 0.016 Å |
| c | 18.323 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3044 ± 4 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.1058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274853 (current) | 2022-05-04 | cif/ Adding structures of 7130039, 7130040, 7130041 via cif-deposit CGI script. |
7130039.cif |
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Users of the data should acknowledge the original authors of the
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