Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7154666
Preview
| Coordinates | 7154666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49.5 H73.5 N O3 Si2 |
|---|---|
| Calculated formula | C49.5 H73.5 N O3 Si2 |
| 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 | 15.8707 ± 0.0003 Å |
| b | 37.2414 ± 0.0007 Å |
| c | 21.2432 ± 0.0004 Å |
| α | 90° |
| β | 131.683 ± 0.001° |
| γ | 90° |
| Cell volume | 9377.1 ± 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 | 0.0998 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1528 |
| Weighted residual factors for all reflections included in the refinement | 0.1738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7154666.cif |
| 176428 | 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. |
7154666.cif |
| 171347 | 2015-12-09 | cif/ Updating files of 7154666, 7154667, 7154668, 7154669, 7154670, 7154671, 7154672 Original log message: Adding full bibliography for 7154666--7154672.cif. |
7154666.cif |
| 153643 | 2015-08-25 | cif/ Adding structures of 7154666, 7154667, 7154668, 7154669, 7154670, 7154671, 7154672 via cif-deposit CGI script. |
7154666.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.