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Information card for entry 4089428
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Coordinates | 4089428.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H69 O2 P2 Re |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4089428.html
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Users of the data should acknowledge the original authors of the
structural data.