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Information card for entry 7112206
Preview
| Coordinates | 7112206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 N O2 S |
|---|---|
| Calculated formula | C21 H19 N O2 S |
| SMILES | S(=O)(=O)(NC1c2c3ccccc3ccc2C=C1C)c1ccc(cc1)C |
| Title of publication | Assembly of indenamine derivatives through in situ formed N-sulfonyliminium ion initiated cyclization |
| Authors of publication | Xiaohui Fan; Hao Lv; Yong-Hong Guan; Hong-Bo Zhu; Xiao-Meng Cui; Kun Guo |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 4119 |
| a | 8.5924 ± 0.0014 Å |
| b | 10.4758 ± 0.0018 Å |
| c | 10.797 ± 0.002 Å |
| α | 97.496 ± 0.015° |
| β | 111.36 ± 0.017° |
| γ | 90.383 ± 0.014° |
| Cell volume | 895.8 ± 0.3 Å3 |
| Cell temperature | 293.8 ± 0.1 K |
| Ambient diffraction temperature | 293.8 ± 0.1 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 | 0.078 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1392 |
| Weighted residual factors for all reflections included in the refinement | 0.1524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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