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Information card for entry 7154626
Preview
| Coordinates | 7154626.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H36 B2 N2 O2 |
|---|---|
| Calculated formula | C26 H36 B2 N2 O2 |
| SMILES | B1(Nc2c3c(N1)cccc3ccc2)[C@]1(B2OC(C(O2)(C)C)(C)C)[C@H]2CCCC[C@@H]2CCC1.B1(Nc2c3c(N1)cccc3ccc2)[C@@]1(B2OC(C(O2)(C)C)(C)C)[C@@H]2CCCC[C@H]2CCC1 |
| Title of publication | Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism. |
| Authors of publication | Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2015 |
| Journal volume | 13 |
| Journal issue | 37 |
| Pages of publication | 9659 - 9664 |
| a | 16.4632 ± 0.0013 Å |
| b | 10.963 ± 0.0009 Å |
| c | 13.1045 ± 0.0009 Å |
| α | 90° |
| β | 99.031 ± 0.003° |
| γ | 90° |
| Cell volume | 2335.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0975 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1135 |
| Weighted residual factors for all reflections included in the refinement | 0.148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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. |
7154626.cif |
| 162191 | 2015-10-09 | cif/ Updating files of 7154624, 7154625, 7154626 Original log message: Adding full bibliography for 7154624--7154626.cif. |
7154626.cif |
| 152724 | 2015-08-04 | cif/ Adding structures of 7154624, 7154625, 7154626 via cif-deposit CGI script. |
7154626.cif |
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Users of the data should acknowledge the original authors of the
structural data.