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CIF Information Card
Information card for 7151801
7151800 << 7151801 >> 7151802Preview
|
Coordinates |
7151801.cif |
Structure parameters
| Formula | - C42 H62 N2 O - |
| Calculated formula | - C42 H62 N2 O - |
| Title of publication | Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres. |
| Authors of publication | Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 3672 - 3680 |
| a | 10.2181 ± 0.0007 Å |
| b | 19.3153 ± 0.0014 Å |
| c | 19.5555 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3859.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.0675 |
| Residual factor for observed reflections | 0.0438 |
| Weighted residual factors for the observed reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for observed reflections | 0.956 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |