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Information card for entry 4089427
Preview
Coordinates | 4089427.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H33 O2 P2 Re |
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Calculated formula | C37 H33 O2 P2 Re |
SMILES | [Re]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(=O)(=O)C |
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 | 9.5407 ± 0.0002 Å |
b | 9.6901 ± 0.0002 Å |
c | 17.5572 ± 0.0004 Å |
α | 99.4821 ± 0.0011° |
β | 93.3097 ± 0.0011° |
γ | 100.503 ± 0.001° |
Cell volume | 1567.71 ± 0.06 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 | 0.0418 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for significantly intense reflections | 0.0599 |
Weighted residual factors for all reflections included in the refinement | 0.0715 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4089427.html
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