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Information card for entry 4038336
Preview
| Coordinates | 4038336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H48 N2 O5 |
|---|---|
| Calculated formula | C50 H48 N2 O5 |
| Title of publication | Oxaazabicyclooctene Oxides, Another Type of Bridgehead Nitrones: Diastereoselective Assembly from Acetylene gas, Ketones and Hydroxyl Amine. |
| Authors of publication | Schmidt, Elena Yu; Tatarinova, Inna V.; Ushakov, Igor A.; Vashchenko, Alexander Valentine; Trofimov, Boris A. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 10.384 ± 0.008 Å |
| b | 10.986 ± 0.008 Å |
| c | 19.425 ± 0.014 Å |
| α | 102.72 ± 0.02° |
| β | 92.22 ± 0.04° |
| γ | 109.91 ± 0.03° |
| Cell volume | 2017 ± 3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1074 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251868 (current) | 2020-05-07 | cif/ Adding structures of 4038336 via cif-deposit CGI script. |
4038336.cif |
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