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Information card for entry 7223253
Preview
| Coordinates | 7223253.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 8-isobutyl-10-methyl-6,7-dioxaspiro[4.5]decane-8,10-diol |
|---|---|
| Formula | C13 H24 O4 |
| Calculated formula | C13 H24 O4 |
| Title of publication | Synthesis of Endoperoxides by Domino Reactions of Ketones and Molecular Oxygen |
| Authors of publication | Novkovic, Luka; Trmcic, Milena; Rodić, Marko V; Bihelovic, Filip; Zlatar, Matija; Matovic, Radomir; Saicic, Radomir Nikola |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 5.8267 ± 0.0003 Å |
| b | 11.0347 ± 0.0005 Å |
| c | 21.6517 ± 0.0014 Å |
| α | 90° |
| β | 97.322 ± 0.005° |
| γ | 90° |
| Cell volume | 1380.76 ± 0.13 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.1229 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170310 (current) | 2015-11-14 | cif/ Adding structures of 7223252, 7223253, 7223254, 7223255 via cif-deposit CGI script. |
7223253.cif |
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