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Information card for entry 1543714
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Coordinates | 1543714.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | pyridinium BArF |
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Formula | C37 H18 B F24 N |
Calculated formula | C37 H18 B F24 N |
Title of publication | A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis |
Authors of publication | McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A. |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 11 |
Pages of publication | 6674 |
a | 12.3832 ± 0.0006 Å |
b | 12.7027 ± 0.0006 Å |
c | 13.6428 ± 0.0006 Å |
α | 79.884 ± 0.003° |
β | 76.218 ± 0.003° |
γ | 63.75 ± 0.003° |
Cell volume | 1863.19 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.01 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 | 0.0877 |
Residual factor for significantly intense reflections | 0.0636 |
Weighted residual factors for significantly intense reflections | 0.1666 |
Weighted residual factors for all reflections included in the refinement | 0.183 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/1543714.html
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