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Information card for entry 4087944
Preview
| Coordinates | 4087944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 N P S |
|---|---|
| Calculated formula | C21 H18 N P S |
| SMILES | S=P1(C(=Nc2c1ccc(c2)C)c1ccccc1)Cc1ccccc1 |
| Title of publication | The Chemistry of ortho-(Diarylphosphino)aryl Isocyanides |
| Authors of publication | Zhang, Lujun; Yu, Wenfei; Liu, Changchun; Xu, Youzhi; Duan, Zheng; Mathey, Francois |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 24 |
| Pages of publication | 5697 |
| a | 8.3561 ± 0.0008 Å |
| b | 9.6321 ± 0.0011 Å |
| c | 12.1639 ± 0.0011 Å |
| α | 100.757 ± 0.009° |
| β | 101.011 ± 0.008° |
| γ | 101.963 ± 0.009° |
| Cell volume | 913.67 ± 0.17 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1345 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237150 (current) | 2019-11-24 | cif/ Adding structures of 4087944 via cif-deposit CGI script. |
4087944.cif |
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Users of the data should acknowledge the original authors of the
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