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Information card for entry 7157940
Preview
Coordinates | 7157940.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H10 Cl N O |
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Calculated formula | C10 H10 Cl N O |
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 | 5.1792 ± 0.0001 Å |
b | 13.1666 ± 0.0003 Å |
c | 6.8217 ± 0.0002 Å |
α | 90° |
β | 97.057 ± 0.002° |
γ | 90° |
Cell volume | 461.664 ± 0.019 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0411 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for all reflections | 0.1067 |
Weighted residual factors for significantly intense reflections | 0.1061 |
Weighted residual factors for all reflections included in the refinement | 0.1067 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9111 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7157940.html
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Users of the data should acknowledge the original authors of the
structural data.