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Information card for entry 4089428
Preview
| Coordinates | 4089428.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H69 O2 P2 Re |
|---|---|
| Calculated formula | C37 H69 O2 P2 Re |
| Title of publication | Mechanism of MTO-Catalyzed Deoxydehydration of Diols to Alkenes Using Sacrificial Alcohols |
| Authors of publication | Liu, Shuo; Senocak, Aysegul; Smeltz, Jessica L.; Yang, Linan; Wegenhart, Benjamin; Yi, Jing; Kenttämaa, Hilkka I.; Ison, Elon A.; Abu-Omar, Mahdi M. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 11 |
| Pages of publication | 3210 |
| a | 9.6838 ± 0.0008 Å |
| b | 10.2736 ± 0.0009 Å |
| c | 18.714 ± 0.0014 Å |
| α | 97.101 ± 0.003° |
| β | 101.746 ± 0.003° |
| γ | 94.964 ± 0.004° |
| Cell volume | 1796.8 ± 0.3 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 | 0.0321 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.048 |
| Weighted residual factors for all reflections included in the refinement | 0.0488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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