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Information card for entry 7238931
Preview
| Coordinates | 7238931.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 O8 |
|---|---|
| Calculated formula | C18 H20 O8 |
| Title of publication | One-pot thermally chemocontrolled double Diels‒Alder strategies. A route to [4 + 2] functionalisation/[4 + 2] derivatization of C60 |
| Authors of publication | Markoulides, Marios S.; Ioannou, Georgios I.; Manos, Manolis J.; Chronakis, Nikos |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 14 |
| Pages of publication | 4750 |
| a | 5.2551 ± 0.0004 Å |
| b | 12.1219 ± 0.0007 Å |
| c | 14.2706 ± 0.0012 Å |
| α | 109.989 ± 0.006° |
| β | 95.075 ± 0.007° |
| γ | 94.816 ± 0.005° |
| Cell volume | 844.59 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244469 (current) | 2019-11-28 | cif/ Adding structures of 7238931, 7238932 via cif-deposit CGI script. |
7238931.cif |
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Users of the data should acknowledge the original authors of the
structural data.