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Information card for entry 4121075
Preview
Coordinates | 4121075.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H39 Na O6 Si3 |
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Calculated formula | C16 H39 Na O6 Si3 |
SMILES | C[Si](C)([C-]([Si](C)(C)[O]1CC[O]2C)[Si](C)(C)[O]3CC[O]4C)[O]5CC[O](C)[Na]12345 |
Title of publication | A Zwitterionic Carbanion Frustrated by Boranes - Dihydrogen Cleavage with Weak Lewis Acids via an "Inverse" Frustrated Lewis Pair Approach |
Authors of publication | Hui Li; Adelia J. A. Aquino; David B. Cordes; Fernando Hung-Low; William L. Hase; Clemens Krempner |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 16066 - 16069 |
a | 15.31 ± 0.004 Å |
b | 15.31 ± 0.004 Å |
c | 9.155 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1858.4 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 146 |
Hermann-Mauguin space group symbol | R 3 :H |
Hall space group symbol | R 3 |
Residual factor for all reflections | 0.0707 |
Residual factor for significantly intense reflections | 0.0643 |
Weighted residual factors for significantly intense reflections | 0.1755 |
Weighted residual factors for all reflections included in the refinement | 0.1805 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4121075.html
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