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Information card for entry 7154668
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| Coordinates | 7154668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ethyl cis-3-mesityl-1-methyl-4,9-bis((triisopropylsilyl)oxy)-2,3-dihydro-1H-benzo[f]isoindole-1-carboxylate |
|---|---|
| Formula | C43 H67 N O4 Si2 |
| Calculated formula | C43 H67 N O4 Si2 |
| SMILES | [Si](Oc1c2ccccc2c(O[Si](C(C)C)(C(C)C)C(C)C)c2c1[C@@](N[C@@H]2c1c(cc(cc1C)C)C)(C)C(=O)OCC)(C(C)C)(C(C)C)C(C)C.[Si](Oc1c2ccccc2c(O[Si](C(C)C)(C(C)C)C(C)C)c2c1[C@](N[C@H]2c1c(cc(cc1C)C)C)(C)C(=O)OCC)(C(C)C)(C(C)C)C(C)C |
| Title of publication | Synthesis and stability of cyclic α-hydrogen nitroxides. |
| Authors of publication | Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2015 |
| Journal volume | 13 |
| Journal issue | 43 |
| Pages of publication | 10726 - 10733 |
| a | 8.7 ± 0.0007 Å |
| b | 15.359 ± 0.001 Å |
| c | 17.871 ± 0.0011 Å |
| α | 67.097 ± 0.004° |
| β | 89.688 ± 0.004° |
| γ | 79.278 ± 0.004° |
| Cell volume | 2155.4 ± 0.3 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 | 0.1068 |
| Residual factor for significantly intense reflections | 0.0748 |
| Weighted residual factors for significantly intense reflections | 0.1908 |
| Weighted residual factors for all reflections included in the refinement | 0.2104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171347 (current) | 2015-12-09 | cif/ Updating files of 7154666, 7154667, 7154668, 7154669, 7154670, 7154671, 7154672 Original log message: Adding full bibliography for 7154666--7154672.cif. |
7154668.cif |
| 153643 | 2015-08-25 | cif/ Adding structures of 7154666, 7154667, 7154668, 7154669, 7154670, 7154671, 7154672 via cif-deposit CGI script. |
7154668.cif |
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Users of the data should acknowledge the original authors of the
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