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Information card for entry 7157947
Preview
Coordinates | 7157947.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H25 Br F6 N3 O2 P |
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Calculated formula | C28 H25 Br F6 N3 O2 P |
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 | 14.3441 ± 0.0002 Å |
b | 11.4367 ± 0.0001 Å |
c | 16.6982 ± 0.0002 Å |
α | 90° |
β | 90.8455 ± 0.0011° |
γ | 90° |
Cell volume | 2739.03 ± 0.06 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0357 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for all reflections | 0.0809 |
Weighted residual factors for significantly intense reflections | 0.0805 |
Weighted residual factors for all reflections included in the refinement | 0.0809 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9539 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7157947.html
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Users of the data should acknowledge the original authors of the
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