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Information card for entry 7133940
Preview
| Coordinates | 7133940.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | oNC, 2-nitrosocumene, o-isopropylnitrosobenzene |
|---|---|
| Chemical name | o-nitrosocumene |
| Formula | C18 H22 N2 O2 |
| Calculated formula | C18 H22 N2 O2 |
| Title of publication | Dynamic covalent and noncovalent assembly of <i>o</i>-nitrosocumene in organic solvents and water. |
| Authors of publication | Rogers, Cory H.; Pradeep, Anu; Galiano, Layla A.; Kelley, S. Ariel; Varadharajan, Ramkumar; Belmore, Ken; Whitt, Logan M.; Li, Yanmei; Champagne, Pier Alexandre; Ramamurthy, Vaidhyanathan; Blackstock, Silas C. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 94 |
| Pages of publication | 13899 - 13902 |
| a | 12.7459 ± 0.0004 Å |
| b | 10.4541 ± 0.0003 Å |
| c | 13.475 ± 0.0004 Å |
| α | 90° |
| β | 111.592 ± 0.004° |
| γ | 90° |
| Cell volume | 1669.51 ± 0.1 Å3 |
| Cell temperature | 117 ± 20 K |
| Ambient diffraction temperature | 117 ± 20 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296301 (current) | 2024-12-06 | cif/ Updating files of 7133940 Original log message: Adding full bibliography for 7133940.cif. |
7133940.cif |
| 295796 | 2024-11-07 | cif/ Adding structures of 7133940 via cif-deposit CGI script. |
7133940.cif |
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Users of the data should acknowledge the original authors of the
structural data.