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Information card for entry 1529415
Preview
| Coordinates | 1529415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H23 Cl O3 S |
|---|---|
| Calculated formula | C31 H23 Cl O3 S |
| SMILES | Clc1ccc(c2c3c4c(C(S(=O)(=O)c5ccc(cc5)C)c3c(O)c3ccc(cc23)C)cccc4)cc1 |
| Title of publication | Catalytic arylsulfonyl radical-triggered 1,5-enyne-bicyclizations and hydrosulfonylation of α,β-conjugates. |
| Authors of publication | Chen, Zhen-Zhen; Liu, Shuai; Hao, Wen-Juan; Xu, Ge; Wu, Shuo; Miao, Jiao-Na; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen |
| Journal of publication | Chemical science (Royal Society of Chemistry : 2010) |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 11 |
| Pages of publication | 6654 - 6658 |
| a | 9.0302 ± 0.0011 Å |
| b | 10.7298 ± 0.0011 Å |
| c | 13.2534 ± 0.0013 Å |
| α | 93.47 ± 0.008° |
| β | 92.319 ± 0.009° |
| γ | 93.973 ± 0.009° |
| Cell volume | 1277.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1365 |
| Residual factor for significantly intense reflections | 0.0644 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1529415.cif |
| 170998 | 2015-12-09 | cif/ Updating files of 1529415 Original log message: Adding full bibliography for 1529415.cif. |
1529415.cif |
| 153531 | 2015-08-20 | cif/ Adding structures of 1529415 via cif-deposit CGI script. |
1529415.cif |
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Users of the data should acknowledge the original authors of the
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