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Information card for entry 7708498
Preview
| Coordinates | 7708498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H18 O5 |
|---|---|
| Calculated formula | C10 H18 O5 |
| SMILES | O(O)C1(OO)C2CC3CC(CC1C3)C2.O |
| 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 | 10.5546 ± 0.0009 Å |
| b | 8.3898 ± 0.0007 Å |
| c | 23.5993 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2089.7 ± 0.3 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7708498.cif |
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Users of the data should acknowledge the original authors of the
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