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Information card for entry 1507894
Preview
| Coordinates | 1507894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H44 Cu2 O10 |
|---|---|
| Calculated formula | C32 H44 Cu2 O10 |
| SMILES | [Cu]1234([Cu]56([O]=C(O3)C(C)(C)Cc3cccc(c3)CC(C)(C)C(O5)=[O]4)([O]=C(O1)C(C)(C)Cc1cccc(c1)CC(C)(C)C(=[O]2)O6)[OH2])[OH2] |
| Title of publication | Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings. |
| Authors of publication | Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 13 |
| Pages of publication | 3550 - 3553 |
| a | 6.9473 ± 0.0008 Å |
| b | 18.846 ± 0.002 Å |
| c | 12.6117 ± 0.0013 Å |
| α | 90° |
| β | 96.521 ± 0.003° |
| γ | 90° |
| Cell volume | 1640.6 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1003 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1324 |
| Weighted residual factors for all reflections included in the refinement | 0.1549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507894.cif |
| 113477 | 2014-05-13 | cif/ Updating files of 1507891, 1507892, 1507893, 1507894 Original log message: Adding full bibliography for 1507891--1507894.cif. |
1507894.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507894.cif |
| 62379 | 2012-07-07 | cif/ Adding structures of 1507894 via cif-deposit CGI script. |
1507894.cif |
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Users of the data should acknowledge the original authors of the
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