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Information card for entry 7111564
Preview
| Coordinates | 7111564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H21 Cl N2 O8 |
|---|---|
| Calculated formula | C26 H21 Cl N2 O8 |
| SMILES | Clc1ccc(cc1)[C@]1(N[C@H](c2ccc(N(=O)=O)cc2)c2c1c(OC(=O)C)ccc2OC(=O)C)C(=O)OC |
| Title of publication | Asymmetric organocatalytic formal double-arylation of azomethines for the synthesis of highly enantiomerically enriched isoindolines |
| Authors of publication | Wang, Chao; Chen, Xiao-Hua; Zhou, Shi-Ming; Gong, Liu-Zhu |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 8 |
| Pages of publication | 1275 - 1277 |
| a | 7.965 ± 0.005 Å |
| b | 30.381 ± 0.005 Å |
| c | 10.583 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 101.631 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2508 ± 2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Duplicate of | 7105252 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210722 (current) | 2018-09-10 | cif/7/ Updating bibliography in entries 7105251-7105252, 7111563-7111564. Marking entries 7111563-7111564 as duplicates of entries 7105251-7105252. |
7111564.cif |
| 180229 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15. |
7111564.cif |
| 125477 | 2014-10-16 | cif/7 Fixing some Z values and formulae. |
7111564.cif |
| 96665 | 2014-01-29 | cif/ Adding structures of 7111563, 7111564 via cif-deposit CGI script. |
7111564.cif |
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Users of the data should acknowledge the original authors of the
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