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Information card for entry 7708497
Preview
| Coordinates | 7708497.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H36 Cl2 O2 P2 |
|---|---|
| Calculated formula | C45 H36 Cl2 O2 P2 |
| Title of publication | Di(hydroperoxy)adamantane Adducts: Synthesis, Characterization and Application as Oxidizers for the Direct Esterification of Aldehydes |
| Authors of publication | Arp, Fabian Felix; Ashirov, Rahym; Bhuvanesh, Nattamai; Bluemel, Janet |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 9.0759 ± 0.0005 Å |
| b | 11.4561 ± 0.0007 Å |
| c | 20.3379 ± 0.0012 Å |
| α | 86.205 ± 0.003° |
| β | 86.487 ± 0.003° |
| γ | 72.612 ± 0.003° |
| Cell volume | 2011.7 ± 0.2 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 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 | 0.0528 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269444 (current) | 2021-10-02 | cif/ Adding structures of 7708497, 7708498, 7708499, 7708500, 7708501 via cif-deposit CGI script. |
7708497.cif |
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Users of the data should acknowledge the original authors of the
structural data.