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Information card for entry 7157941
Preview
Coordinates | 7157941.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H62 F24 N10 O4 P4 |
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Calculated formula | C64 H62 F24 N10 O4 P4 |
Title of publication | Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures. |
Authors of publication | Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 12 |
Pages of publication | 2794 - 2803 |
a | 14.8499 ± 0.0005 Å |
b | 16.5325 ± 0.0006 Å |
c | 18.0268 ± 0.0007 Å |
α | 65.052 ± 0.004° |
β | 66.01 ± 0.003° |
γ | 88.251 ± 0.003° |
Cell volume | 3612.6 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0689 |
Residual factor for significantly intense reflections | 0.0646 |
Weighted residual factors for all reflections | 0.1874 |
Weighted residual factors for significantly intense reflections | 0.1831 |
Weighted residual factors for all reflections included in the refinement | 0.1874 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9718 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7157941.html
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Users of the data should acknowledge the original authors of the
structural data.